UCSF

ZINC19455500

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 Yes

Popular Name: (3R)-3-imidazol-1-yl-N-[(1S,6S,7R,8S)-7-(4-methoxyphenyl)-8-bicyclo[4.2.0]octanyl]butanamide (3R)-3-imidazol-1-yl-N-[(1S,6S,7…

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) 3.86 10.79 -12.59 1 5 0 56 367.493 6 ↓
Mid Mid (pH 6-8) 3.86 11.27 -43.08 2 5 1 57 368.501 6 ↓

Activity (Go SEA)

Rings

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