UCSF

ZINC64548806

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 36 Yes

Popular Name: 3-(4-phenylphenyl)-1-[(2S)-2-[5-(trifluoromethyl)-1H-benzimidazole-2-carbonyl]pyrrolidin-1-yl]propan 3-(4-phenylphenyl)-1-[(2S)-2-[5-…

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) 5.79 14.53 -14.39 1 5 0 66 491.513 7 ↓
Hi High (pH 8-9.5) 5.79 14.09 -49.78 0 5 -1 64 490.505 7 ↓

Activity (Go SEA)

Rings

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

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