Anti-ulcerative agents [selection]

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


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
bismuth subsalicylate 14882-18-9 C7H5BiO4 362.09
-1.36
mesalamine 89-57-6 C7H7NO3 153.14
1.19
irsogladine 57381-26-7 C9H7Cl2N5 256.10
1.36
polaprezinc 107667-60-7 C9H12N4O3Zn 289.59
-0.01
metiamide 34839-70-8 C9H16N4S2 244.38
1.44
lozilurea 71475-35-9 C10H13ClN2O 212.68
1.89
cimetidine 51481-61-9 C10H16N6S 252.34
0.40
isotiquimide 56717-18-1 C11H14N2S 206.31
0.76
De-No 57644-54-9 C12H10BiK3O14 704.47
-1.19
spizofurone 72492-12-7 C12H10O3 202.21
2.23
nitecapone 116313-94-1 C12H11NO6 265.22
2.15
sucrosofate octapotassium [heptahydrate] 76578-81-9 C12H14K8O35S8 1287.53
deboxamet 34024-41-4 C12H14N2O3 234.25
2.21
esaprazole 64204-55-3 C12H23N3O 225.34
2.11
DL-1'-acetoxychavicol acetate 52946-22-2 C13H14O4 234.25
1.98
baxitozine 84386-11-8 C13H14O6 266.25
2.63
ranitidine 66357-35-5 C13H22N4O3S 314.41
0.66
olsalazine; Mordant Yellow 5; CI 14130 15722-48-2 C14H10N2O6 302.24
2.64
zolimidine 1222-57-7 C14H12N2O2S 272.33
1.21
ebrotidine 100981-43-9 C14H17BrN6O2S3 477.43
-0.37
tritoqualine 35619-65-9 C14H19NO4S 297.37
1.90
nolinium bromide 40759-33-9 C15H11BrCl2N2 370.08
0.59
egualen 99287-30-6 C15H18O3S 278.37
3.54
troxipide 30751-05-4 C15H22N2O4 294.35
0.82
propentofylline 55242-55-2 C15H22N4O3 306.37
-0.12
dexlansoprazole 138530-94-6 C16H14F3N3O2S 369.36
-0.81
lansoprazole 103577-45-3 C16H14F3N3O2S 369.36
2.20
levolansoprazole 138530-95-7 C16H14F3N3O2S 369.36
3.40
tenatoprazole 113712-98-4 C16H18N4O3S 346.41
2.23
ramixotidine 84071-15-8 C16H21N3O3S 335.43
1.85
acexamic acid 57-08-9 C16H26CaN2O6 382.47
2.23
esomeprazole 161796-78-7 C17H19N3O3S 345.42
2.23
cetraxate 34675-84-8 C17H23NO4 305.37
2.29
ochromomycinone C18H12O4 292.29
3.01
benzotript 39544-74-6 C18H15ClN2O3 342.78
4.27
clanobutin 30544-61-7 C18H18ClNO4 347.80
2.90
nepaprazole 156601-79-5 C18H19N3O2S 341.43
2.23
proglumide 6620-60-6 C18H26N2O4 334.42
0.49
dalcotidine 120958-90-9 C18H29N3O2 319.45
2.03
YM-181741 C19H14O5 322.32
3.70
rebamipide (+); 111911-87-6 C19H15ClN2O4 370.79
3.12
ilaprazole 172152-36-2 C19H18N4O2S 366.44
2.22
oxmetidine 72830-39-8 C19H21N5O3S 399.47
0.41
pumaprazole 158364-59-1 C19H22N4O2 338.41
1.78
leminoprazole 104340-86-5 C19H23N3OS 341.48
2.40
roxatidine acetate hydrochloride 93793-83-0 C19H29ClN2O4 384.90
1.33
ecabapide 104775-36-2 C20H25N3O4 371.44
3.05
ecabet 33159-27-2 C20H28O5S 380.50
1.00
spiriprostil 122946-42-3 C20H34N2O4 366.50
4.32
plaunotol 64218-02-6 C20H34O2 306.49
3.66
siltenzepine 98374-54-0 C21H24ClN3O2 385.89
2.80
quisultazine 64099-44-1 C21H25N3O2S2 415.58
4.68
spiroglumide 137795-35-8 C21H26Cl2N2O4 441.35
1.35
cinitapride 66564-14-5 C21H30N4O4 402.49
2.07
arbaprostil 55028-70-1 C21H34O5 366.50
7.10
rioprostil 77287-05-9 C21H38O4 354.53
7.09
lafutidine 118288-08-7 C22H29N3O4S 431.55
2.55
enisoprost 81026-63-3 C22H36O5 380.52
7.17
benexate 78718-52-2 C23H27N3O4 409.49
3.38
enprostil 73121-56-9 C23H28O6 400.47
6.00
trimoprostil 69900-72-7 C23H38O4 378.55
5.98
ornoprostil 70667-26-4 C23H38O6 410.55
8.61
tiopropamine 39516-21-7 C24H27NS 361.55
3.41
budesonide 51333-22-3 C25H34O6 430.54
1.53
setipafant 132418-35-0 C26H23ClN6O2S 519.03
2.18
amiglumide 119363-62-1 C26H36N2O4 440.58
2.96
bisobrin 22407-74-5 C26H36N2O4 440.58
3.06
sofalcone 64506-49-6 C27H30O6 450.53
2.84
pifarnine 56208-01-6 C27H40N2O2 424.63
3.20
gefarnate 51-77-4 C27H44O2 400.65
6.24
itriglumide 201605-51-8 C33H38N2O4 526.68
3.42
carbenoxolone 5697-56-3 C34H50O7 570.77
4.15


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