UCSF

ZINC21540705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 Yes

Popular Name: (7S)-7-(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5- (7S)-7-(2-chlorophenyl)-5-(3,4-d…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 4.37 11.48 -15.17 0 6 0 62 436.821 5 ↓
Mid Mid (pH 6-8) 4.38 12.64 -10.38 1 6 0 64 436.821 5 ↓

Activity (Go SEA)

Rings

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

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