UCSF

ZINC55107976

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: 4-[(2R)-2-(2-propylbenzimidazol-1-yl)propanoyl]-1,4-diazepan-2-one 4-[(2R)-2-(2-propylbenzimidazol-…

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) 2.11 6.43 -26.8 1 6 0 67 328.416 4 ↓
Mid Mid (pH 6-8) 2.11 6.86 -41.63 2 6 1 68 329.424 4 ↓

Activity (Go SEA)

Rings

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

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