Antifungal compounds

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
candicidin 1403-17-4 C4H9O2 89.11
-0.34
icofungipen 198022-65-0 C7H11NO2 141.17
-2.22
rimoprogin 37750-83-7 C8H7IN2OS 306.12
0.99
pyrrolnitrin 1018-71-9 C10H6Cl2N2O2 257.08
2.63
cuprimyxin; see also CAS 29334-07-4 28069-65-0 C10H8O10S2 352.29
2.53
nifuratel 4936-47-4 C10H11N3O5S 285.28
2.06
mercurobutol 498-73-7 C10H13ClHgO 385.26
2.96
lidimycin 10118-85-1 C10H14N2O3S 242.30
0.00
buclosamide 575-74-6 C11H14ClNO2 227.69
0.90
clodantoin 5588-20-5 C11H17Cl3N2O2S 347.69
2.35
ciclopirox 29342-05-0 C12H17NO2 207.27
3.09
loflucarban 790-69-2 C13H9Cl2FN2S 315.20
2.17
osalmid 526-18-1 C13H11NO3 229.23
2.97
azaribine 2169-64-4 C14H17N3O9 371.30
0.26
kalafungin 11048-15-0 C15H10O7 302.24
1.34
chlormidazole 3689-76-7 C15H13ClN2 256.74
1.67
dimazole 95-27-2 C15H23N3OS 293.43
2.68
sinefungin 58944-73-3 C15H23N7O5 381.39
-0.35
nanafrocin 52934-83-5 C16H14O6 302.28
1.25
hydroxystilbamidine 495-99-8 C16H16N4O 280.33
2.19
pecilocin 19504-77-9 C16H23NO3 277.36
2.04
sulbentine 350-12-9 C17H18N2S2 314.47
3.45
becliconazole 112893-26-2 C18H12Cl2N2O 343.21
2.80
tioxaprofen 40198-53-6 C18H13Cl2NO3S 394.28
2.99
Miconazole 22916-47-8 C18H14Cl4N2O 416.13
4.07
isoconazole 27523-40-6 C18H14Cl4N2O 416.13
4.07
croconazole 77175-51-0 C18H15ClN2O 310.78
3.12
econazole 27220-47-9 C18H15Cl3N2O 381.69
3.46
sulconazole 61318-90-9 C18H15Cl3N2S 397.75
3.22
rilopirox 104153-37-9 C19H16ClNO4 357.79
2.88
trimetrexate 52128-35-5 C19H23N5O3 369.42
1.03
sanguinarium chloride; also CAS 2447-54-3 5578-73-4 C20H14ClNO4 367.79
3.17
sertaconazole 99592-32-2 C20H15Cl3N2OS 437.78
3.87
albaconazole 187949-02-6 C20H16ClF2N5O2 431.83
2.36
omoconazole [105102-19-2] 74512-12-2 C20H17Cl3N2O2 423.73
3.92
tolciclate 50838-36-3 C20H21NOS 323.46
2.71
abafungin 129639-79-8 C21H22N4OS 378.50
1.41
hexetidine 141-94-6 C21H45N3 339.61
1.90
flutrimazole 119006-77-8 C22H16F2N2 346.38
3.33
bifonazole 60628-96-8 C22H18N2 310.40
5.40
siccanin 22733-60-4 C22H30O3 342.48
3.31
butenafine 101828-21-1 C23H27N 317.48
4.65
mevastatin 73573-88-3 C23H34O5 390.52
8.62
acrisorcin 7527-91-5 C25H28N2O2 388.51
3.45
doconazole 59831-63-9 C26H22Cl2N2O3 481.38
5.13
penoctonium bromide 17088-72-1 C26H50BrNO2 488.60
3.51
ambruticin 58857-02-6 C28H42O6 474.64
4.79
saperconazole 110588-57-3 C35H38F2N8O4 672.74
2.75
rutamycin 1404-59-7 C44H72O11 777.05
-0.14
caspofungin 162808-62-0 C52H88N10O15 1093.33
2.15


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