Antihypertensive 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
linsidomine 33876-97-0 C6H10N4O2 170.17
0.50
guancidine 1113-10-6 C7H15N5 169.23
-0.76
guanabenz 5051-62-7 C8H8Cl2N4 231.09
3.33
trichlormethiazide 133-67-5 C8H8Cl3N3O4S2 380.66
0.04
tiamenidine 31428-61-2 C8H10ClN3S 215.71
3.40
dihydralazine 484-23-1 C8H10N6 190.21
0.94
oxdralazine 17259-75-5 C8H15N5O2 213.24
0.35
guanfacine 29110-47-2 C9H9Cl2N3O 246.10
3.46
olmidine 22693-65-8 C9H10N2O3 194.19
1.31
tiamizide 3688-85-5 C9H11ClN2O3S 262.71
0.03
guanoclor 5001-32-1 C9H14Cl2N4O5S 361.20
1.62
azepexole 36067-73-9 C9H15N3O 181.24
1.07
epitizide 1764-85-8 C10H11ClF3N3O4S3 425.85
-0.10
flutonidine 28125-87-3 C10H12FN3 193.22
2.70
tolazoline 59-98-3 C10H12N2 160.22
2.40
alpha-Methyldopa 555-30-6 C10H13NO4 211.22
-2.74
guabenxan 19889-45-3 C10H13N3O2 207.23
2.58
guanoxan 2165-19-7 C10H13N3O2 207.23
2.61
bupicomide 22632-06-0 C10H14N2O 178.23
-0.33
tolmesoxide 38452-29-8 C10H14O3S 214.28
0.55
betanidine 55-73-2 C10H15N3 177.25
3.46
guanadrel 40580-59-4 C10H19N3O2 213.28
-2.96
guanethidine 55-65-2 C10H22N4 198.31
-2.52
brimonidine 59803-98-4 C11H10BrN5 292.14
1.59
muzolimine 55294-15-0 C11H11Cl2N3O 272.13
2.09
pargyline 555-57-7 C11H13N 159.23
2.53
altizide 5588-16-9 C11H14ClN3O4S3 383.89
-0.10
butizide 2043-38-1 C11H16ClN3O4S2 353.85
-0.07
mecamylamine 60-40-2 C11H21N 167.30
2.74
pazoxide 21132-59-2 C12H10Cl2N2O2S 317.19
1.37
motapizone 90697-57-7 C12H12N4OS 260.32
1.97
tienilic acid; ticrynafen 40180-04-9 C13H8Cl2O4S 331.17
2.47
zolertine 4004-94-8 C13H18N6 258.33
0.12
cloranolol 39563-28-5 C13H19Cl2NO2 292.21
2.80
endralazine 39715-02-1 C13H20N4O 248.33
2.04
moprolol 5741-22-0 C13H21NO3 239.31
1.88
cicletanine 89943-82-8 C14H12ClNO2 261.71
2.46
cyclothiazide 2259-96-3 C14H16ClN3O4S2 389.88
-0.09
budralazine 36798-79-5 C15H18N4 254.34
1.27
indenolol 60607-68-3 C15H21NO2 247.34
3.09
levcromakalim 94535-50-9 C16H18N2O3 286.33
1.60
tripamide 73803-48-2 C16H20ClN3O3S 369.87
0.71
bimakalim 117545-11-6 C17H14N2O2 278.31
1.41
ofornine 87784-12-1 C17H19N3O 281.36
3.45
indacrinone 57296-63-6 C18H14Cl2O4 365.21
3.08
cianergoline 74627-35-3 C19H22N4O 322.41
2.91
bufeniode 22103-14-6 C19H23I2NO2 551.21
3.45
moveltipril 85856-54-8 C19H30N2O5S 398.52
-0.68
trimethidinium methosulfate 7009-82-7 C19H42N2O6S2 458.68
3.50
leniquinsin 10351-50-5 C20H20N2O4 352.39
2.95
epanolol 86880-51-5 C20H23N3O4 369.42
1.60
medroxalol 56290-94-9 C20H24N2O5 372.42
3.09
enalapril 75847-73-3 C20H28N2O5 376.45
-0.63
urapidil 34661-75-1 C20H29N5O3 387.48
1.11
trimazosin 35795-16-5 C20H29N5O6 435.48
1.68
candoxatrilat 123122-54-3 C20H33NO7 399.48
3.53
flavodilol 79619-31-1 C21H23NO4 353.42
4.09
ecadotril 112573-73-6 C21H23NO4S 385.48
2.88
pelanserin 2208-51-7 C21H24N4O2 364.45
2.70
mecarbinate [structure identical with niprofazone, CAS 15387-10-7] 15574-49-9 C21H25N5O2 379.46
3.75
vincamine 1617-90-9 C21H26N2O3 354.45
2.41
ceronapril 111223-26-8 C21H33N2O7P 456.48
1.22
zofenopril 81872-10-8 C22H23NO4S2 429.56
2.79
tasosartan 145733-36-4 C23H21N7O 411.47
1.87
eprosartan 133040-01-4 C23H24N2O4S 424.52
2.10
fasidotril 135038-57-2 C23H25NO6S 443.52
3.09
forasartan 145216-43-9 C23H28N8 416.53
2.68
fosinoprilat 95399-71-6 C23H34NO5P 435.50
5.21
tinabinol 50708-95-7 C23H34O2S 374.59
5.93
pentolonium tartrate 52-62-0 C23H42N2O12 538.59
0.41
candesartan 139481-59-7 C24H20N6O3 440.46
4.33
carmoxirole 98323-83-2 C24H26N2O2 374.48
2.73
atiprosin 89303-63-9 C24H33N3O4 427.54
1.64
indolapril 80876-01-3 C24H34N2O5 430.54
0.98
embusartan 156001-18-2 C25H24FN5O3 461.50
2.89
adimolol 78459-19-5 C25H29N3O3 419.52
3.97
troxypyrrolium tosilate 3612-98-4 C25H35NO8S 509.62
-0.04
troxonium tosilate 391-70-8 C25H37NO8S 511.63
3.44
pentacynium chloride 77-12-3 C25H38Cl2N2O2 469.50
-1.11
flordipine 77590-96-6 C26H33F3N2O5 510.55
2.20
tiapamil 57010-31-8 C26H37NO8S2 555.71
-0.15
belfosdil 103486-79-9 C27H50O7P2 548.64
1.36
seganserin 87729-89-3 C29H27F2N3O 471.55
4.76
daglutril 182821-27-8 C31H38N2O6 534.65
2.39
terlakiren 119625-78-4 C31H48N4O7S 620.81
-0.42
azelnidipine 123524-52-7 C33H34N4O6 582.66
2.20
zankiren 138742-43-5 C35H55N5O6S2 705.98
-0.61
bietaserpine 53-18-9 C39H53N3O9 707.86
2.76
vatanidipine 116308-55-5 C42H44N4O6 700.84
2.21
saralasin 34273-10-4 C42H65N13O10 912.06
2.16
ditekiren 103336-05-6 C50H75N9O8 930.20
-1.50
ternidazole 14636-12-5 C52H74N16O15S2 1227.39
2.16
teprotide 35115-60-7 C53H76N14O12 1101.28
2.16


These data provided free by TerraBase Inc.

Copyright © 2004 by TerraBase Inc.