UCSF

ZINC39898132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 28 Yes

Popular Name: (4S,6aS)-3-(5-chloro-2-hydroxy-phenyl)-4-(4-fluorophenyl)-5-(2-methoxyethyl)-4,6a-dihydropyrrolo[3,4 (4S,6aS)-3-(5-chloro-2-hydroxy-p…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.54 6.23 -12.69 2 6 0 78 401.825 5 ↓
Mid Mid (pH 6-8) 3.54 6.34 -14.89 2 6 0 78 401.825 5 ↓

Activity (Go SEA)

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