Antibiotics & Antibacterials

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME CAS FORMULA MWTerraQSAR - LOGP
fludalanine 35523-45-6 C3H6FNO2 107.08
-2.98
L-alanosine 5854-93-3 C3H7N3O4 149.11
-2.16
candicidin 1403-17-4 C4H9O2 89.11
-0.34
KS-504d 122005-23-6 C7H4Cl8O2 403.73
3.51
nifuraldezone 3270-71-1 C7H6N4O5 226.15
0.08
nifuratrone 19561-70-7 C7H8N2O5 200.15
1.06
mafenide 138-39-6 C7H10N2O2S 186.23
0.38
relomycin 1404-48-4 C7H14O2 130.19
1.48
quindoxin 2423-66-7 C8H6N2O2 162.15
-2.34
furazolium chloride 5118-17-2 C9H8ClN3O3S 273.70
0.66
mizoribine 50924-49-7 C9H13N3O6 259.22
-1.12
pyrrolnitrin 1018-71-9 C10H6Cl2N2O2 257.08
2.63
tiodonium chloride 38070-41-6 C10H7Cl2IS 357.04
3.98
cuprimyxin; see also CAS 29334-07-4 28069-65-0 C10H8O10S2 352.29
2.53
sulfachloropyridazine 80-32-0 C10H9ClN4O2S 284.72
0.32
sulfadiazine sodium 547-32-0 C10H9N4NaO2S 272.26
0.21
nifuratel 4936-47-4 C10H11N3O5S 285.28
2.06
ritipenem 84845-57-8 C10H12N2O6S 288.28
-1.12
sulfamonomethoxine 1220-83-3 C11H12N4O3S 280.31
0.41
sulfalene 152-47-6 C11H12N4O3S 280.31
1.68
sulfacitine 17784-12-2 C12H14N4O3S 294.33
0.73
racefenicol 847-25-6 C12H15Cl2NO5S 356.22
0.52
sulopenem 120788-07-0 C12H15NO5S3 349.45
1.54
oximonam 90898-90-1 C12H15N5O6S 357.34
-0.47
bicozamycin 38129-37-2 C12H18N2O7 302.28
-0.79
cefacetrile 10206-21-0 C13H13N3O6S 339.33
-1.67
cetofenicol 735-52-4 C13H15Cl2NO4 320.17
1.81
diaveridine 5355-16-8 C13H16N4O2 260.30
0.91
levofuraltadone 3795-88-8 C13H16N4O6 324.29
1.57
aztreonam 78110-38-0 C13H17N5O8S2 435.43
-0.83
sparsomycin 1404-64-4 C13H19N3O5S2 361.44
1.29
cefdinir 91832-40-5 C14H13N5O5S2 395.42
-1.65
tacapenem 193811-33-5 C14H18N2O5S 326.37
-0.69
sanfetrinem 156769-21-0 C14H19NO5 281.31
2.44
spectinomycin 1695-77-8 C14H24N2O7 332.35
-0.01
bacitracin 1405-87-4 C14H29I2N4O2PS 602.26
3.23
kalafungin 11048-15-0 C15H10O7 302.24
1.34
ibafloxacin 91618-36-9 C15H14FNO3 275.28
1.60
ceftibuten 97519-39-6 C15H14N4O6S2 410.43
-1.73
cefmetazole 56796-20-4 C15H17N7O5S3 471.54
2.84
sinefungin 58944-73-3 C15H23N7O5 381.39
-0.35
nanafrocin 52934-83-5 C16H14O6 302.28
1.25
ulifloxacin 112984-60-8 C16H16FN3O3S 349.38
-0.51
acedapsone; 4,4'-sulfonylbisacetanilide 77-46-3 C16H16N2O4S 332.37
2.38
sulfapyrazole 852-19-7 C16H16N4O2S 328.39
0.95
nifurquinazol 5055-20-9 C16H16N4O5 344.33
1.79
antramycin 4803-27-4 C16H17N3O4 315.33
1.45
amifloxacin 86393-37-5 C16H19FN4O3 334.35
-0.94
amoxicillin 26787-78-0 C16H19N3O5S 365.40
0.91
linezolid [linezolide] 165800-03-3 C16H20FN3O4 337.35
2.19
epicillin 26774-90-3 C16H21N3O4S 351.42
1.00
tetroxoprim 53808-87-0 C16H22N4O4 334.38
0.91
geroquinol 10457-66-6 C16H22O2 246.35
1.51
pecilocin 19504-77-9 C16H23NO3 277.36
2.04
ubenimex 58970-76-6 C16H24N2O4 308.38
-1.17
cefuracetime 39685-31-9 C17H17N3O8S 423.40
-0.74
carbenicillin 4697-36-3 C17H18N2O6S 378.40
1.19
cefovecin 234096-34-5 C17H19N5O6S2 453.50
-1.66
mycophenolic acid 24280-93-1 C17H20O6 320.34
2.83
azotomycin 7644-67-9 C17H23N7O8 453.41
0.46
Meropenem 96036-03-2 C17H25N3O5S 383.47
-0.46
ribostamycin 25546-65-0 C17H34N4O10 454.48
-2.46
isoconazole 27523-40-6 C18H14Cl4N2O 416.13
4.07
cefaloram 859-07-4 C18H18N2O6S 390.41
-1.76
cefaparole 51627-20-4 C18H19N5O3S3 449.57
2.88
ofloxacin 83380-47-6 C18H20FN3O4 361.37
-0.94
eperezolid 165800-04-4 C18H23FN4O5 394.40
2.34
lenapenem 149951-16-6 C18H29N3O5S 399.51
-0.42
lincomycin hydrochloride (hydrate) 859-18-7 C18H35ClN2O6S 443.00
0.56
Kanamycin A 59-01-8 C18H36N4O11 484.50
-3.46
dibekacin 34493-98-6 C18H37N5O8 451.52
-1.47
tosufloxacin 108138-46-1 C19H15F3N4O3 404.35
0.81
dicloxacillin 3116-76-5 C19H17Cl2N3O5S 470.33
1.29
cefamandole nafate 42540-40-9 C19H17N6NaO6S2 512.50
1.95
sitafloxacine; DU 6859 127254-12-0 C19H18ClF2N3O3 409.82
2.81
binfloxacin 108437-28-1 C19H22FN3O3 359.40
-0.94
penamecillin 983-85-7 C19H22N2O6S 406.46
3.31
iclaprim 192314-93-5 C19H22N4O3 354.41
2.04
merafloxacin 110013-21-3 C19H23F2N3O3 379.41
-0.60
hetacillin 3511-16-8 C19H23N3O4S 389.47
1.33
cefepime 88040-23-7 C19H24N6O5S2 480.57
0.65
amantocillin 10004-67-8 C19H27N3O4S 393.51
0.32
fostriecin 87810-56-8 C19H27O9P 430.39
5.83
pleuromulin 125-65-5 C19H30O5 338.44
4.16
sisomicin 32385-11-8 C19H37N5O7 447.53
-1.41
cefetecol 117211-03-7 C20H17N5O9S2 535.51
-0.05
fandofloxacin 164150-99-6 C20H18F2N4O3 400.39
0.86
aranotin 19885-51-9 C20H18N2O7S2 462.50
2.39
cefalonium 5575-21-3 C20H18N4O5S2 458.51
1.24
balofloxacin 127294-70-6 C20H24FN3O4 389.43
2.59
cefluprenam 116853-25-9 C20H25FN8O6S2 556.60
0.56
hexcarbacholine bromide 3811-75-4 C20H26N4O2 354.45
2.39
cefoxazole 36920-48-6 C21H18ClN3O7S 491.91
-1.55
prulifloxacin [both enantiomers] 123447-62-1 C21H20FN3O6S 461.47
-0.24
posizolid 252260-02-9 C21H21F2N3O7 465.41
3.02
fumoxicillin 78186-33-1 C21H21N3O6S 443.48
1.02
nitrocycline 5585-59-1 C21H21N3O9 459.41
-1.11
Nafcillin 147-52-4 C21H22N2O5S 414.48
1.33
demecycline 987-02-0 C21H22N2O8 430.41
-1.12
abafungin 129639-79-8 C21H22N4OS 378.50
1.41
sancycline 808-26-4 C21H24N2O6 400.43
-1.14
premafloxacin 143383-65-7 C21H26FN3O4 403.45
2.67
sarpicillin 40966-79-8 C21H27N3O5S 433.53
1.47
pivmecillinam 32886-97-8 C21H33N3O5S 439.57
3.03
bluensomycin 11011-72-6 C21H39N5O14 585.56
-0.32
Streptomycin 57-92-1 C21H39N7O12 581.58
-0.32
apramycin 37321-09-8 C21H41N5O11 539.58
-2.24
gentamycin C1 25876-10-2 C21H43N5O7 477.60
-1.77
meclocycline 2013-58-3 C22H21ClN2O8 476.87
-1.10
cetocycline 53228-00-5 C22H21NO7 411.41
-1.11
cefempidone 103238-57-9 C22H21N7O6S2 543.58
1.11
metacycline 914-00-1 C22H22N2O8 442.42
-1.11
bisantrene 78186-34-2 C22H22N8 398.47
-0.83
doxycycline 564-25-0 C22H24N2O8 444.44
-1.19
oxytetracycline hydrochloride 2058-46-0 C22H25ClN2O9 496.90
-1.01
ceftizoxime alapivoxil 135821-54-4 C22H28N6O8S2 568.63
2.96
puromycin 53-79-2 C22H29N7O5 471.52
-0.21
siccanin 22733-60-4 C22H30O3 342.48
3.31
isepamicin 58152-03-7 C22H43N5O12 569.61
-3.06
hexedine 5980-31-4 C22H45N3 351.62
2.91
butikacin 59733-86-7 C22H45N5O12 571.62
-3.59
garenoxacin 194804-75-6 C23H20F2N2O4 426.42
1.52
garenoxacin mesylate [hydrate] 223652-90-2 C23H20F2N2O4.CH4O3S.H2O 522.52
2.20
clomocycline 1181-54-0 C23H25ClN2O9 508.91
-0.98
tameticillin 56211-43-9 C23H33N3O6S 479.60
1.82
mevastatin 73573-88-3 C23H34O5 390.52
8.62
framycetin 119-04-0 C23H46N6O13 614.65
-1.17
Neomycin B 1404-04-2 C23H46N6O13 614.65
-1.01
rufocromomycin 3930-19-6 C25H22N4O8 506.47
1.75
sultamicillin 76497-13-7 C25H30N4O9S2 594.66
0.86
enviomycin 33103-22-9 C25H43N13O10 685.70
2.16
viomycin 32988-50-4 C25H43N13O10 685.70
2.16
alatrofloxacin 157182-32-6 C26H25F3N6O5 558.52
2.81
tobicillin 151287-22-8 C26H28N2O6S 496.58
2.73
fumagillin 23110-15-8 C26H34O7 458.55
6.29
alexidine 22573-93-9 C26H56N10 508.80
-0.83
rolitetracycline 751-97-3 C27H33N3O8 527.57
-1.10
sedecamycin 23477-98-7 C27H35NO8 501.58
5.31
steffimycin 11033-34-4 C28H30O13 574.53
2.20
volpristin 21102-49-8 C28H37N3O7 527.62
2.36
ambruticin 58857-02-6 C28H42O6 474.64
4.79
lymecycline 992-21-2 C29H38N4O10 602.64
-1.00
pipacycline 1110-80-1 C29H38N4O9 586.64
-1.01
xanthomycin A; guamecycline 16545-11-2 C29H38N8O8 626.67
-1.08
tigecycline 220620-09-7 C29H39N5O8 585.66
-1.11
galarubicin 140637-86-1 C30H32FNO13 633.58
1.27
apicycline 15599-51-6 C30H38N4O11 630.65
-0.97
repromicin 56689-42-0 C31H51NO8 565.75
2.49
rosaramicin 35834-26-5 C31H53NO9 583.76
0.47
elsamitrucin 97068-30-9 C32H33NO14 655.61
3.27
sabarubicin 211100-13-9 C32H37NO13 643.64
1.27
nemorubicin 108852-90-0 C32H37NO13 643.64
1.27
zorubicin 54083-22-6 C34H35N3O10 645.66
1.27
dalfopristin 112362-50-2 C34H50N4O9S 690.86
1.87
lasalocid 25999-31-9 C34H54O8 590.80
-0.07
kitasamycin 1392-21-8 C34H56NO13 686.82
2.47
oleandomycin 3922-90-5 C35H61NO12 687.87
-0.07
flurithromycin 82664-20-8 C37H66FNO13 751.93
-0.14
lexithromycin 53066-26-5 C38H70N2O13 762.98
-0.14
nogalamycin 1404-15-5 C39H49NO16 787.81
2.20
streptovarycin 1404-74-6 C40H51NO14 769.84
1.87
cethromycin 205110-48-1 C41H57N3O10 751.92
-0.09
midecamycin 35457-80-8 C41H67NO15 813.98
2.49
roxithromycin 80214-83-1 C41H76N2O15 837.06
-0.14
rifamexil 113102-19-5 C42H55N3O11S 809.98
1.87
aspartocin 4117-65-1 C42H64N12O12S2 993.17
2.15
rokitamycin 74014-51-0 C42H69NO15 828.01
2.48
josamycin 16846-24-5 C42H69NO15 828.01
2.47
salinomycin 53003-10-4 C42H70O11 751.01
-0.14
rifamide 2750-76-7 C43H58N2O13 810.94
1.87
mocimycin 50935-71-2 C43H60N2O12 796.95
5.93
telithromycin; CAS also 173838-31-8 191114-48-4 C43H65N5O10 812.02
0.01
narasin 55134-13-9 C43H72O11 765.04
-0.14
efepristine 57206-54-9 C44H51N7O10 837.93
-1.23
rifametane 94168-98-6 C44H60N4O12 836.98
1.87
rutamycin 1404-59-7 C44H72O11 777.05
-0.14
tilmicosin 108050-54-0 C46H80N2O13 869.15
0.28
Nystatin A1 1400-61-9 C47H75NO17 926.11
2.44
rifalazil 129791-92-0 C51H64N4O13 941.09
1.87
sirolimus; Rapamune; Rapamycin 53123-88-9 C51H81NO11 884.20
0.90
quinupristin 120138-50-3 C53H67N9O10S 1022.24
-0.92
coumamycin 4434-05-3 C55H59N5O20 1110.09
2.44
avilamycin 11051-71-1 C61H88Cl2O32 unavailable
0.00
vancomycin hydrochloride 1404-93-9 C66H76Cl3N9O24 1485.73
2.15
evernimicin 109545-84-8 C70H97Cl2NO38 unavailable
0.00
daptomycin 103060-53-3 C72H101N17O26 1620.69
-2.12


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