UCSF

ZINC19454487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 Yes

Popular Name: N-[(1S,6R,7R,8S)-7-(3,4-dimethoxyphenyl)-8-bicyclo[4.2.0]octanyl]-3-(2-isopropylimidazol-1-yl)propan N-[(1S,6R,7R,8S)-7-(3,4-dimethox…

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) 4.23 11.82 -39.14 2 6 1 67 426.581 8 ↓
Mid Mid (pH 6-8) 4.23 11.37 -15.16 1 6 0 65 425.573 8 ↓

Activity (Go SEA)

Rings

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

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