UCSF

ZINC38139248

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 38 No

Popular Name: 5-[1-(2-fluorophenyl)sulfonyl-4-piperidyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]triazolo[4,5-d]pyri 5-[1-(2-fluorophenyl)sulfonyl-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 5.04 -57.89 0 10 -1 126 551.502 7 ↓
Lo Low (pH 4.5-6) 3.29 7.28 -24.51 1 10 0 123 552.51 7 ↓
Lo Low (pH 4.5-6) 3.29 6.79 -39.8 1 10 0 123 552.51 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.