UCSF

ZINC39898229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 29 Yes

Popular Name: (4R,6aS)-3-(5-chloro-2-hydroxy-phenyl)-4-(4-fluorophenyl)-5-(3-methoxypropyl)-4,6a-dihydropyrrolo[3, (4R,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) 3.82 7.03 -11.1 2 6 0 78 415.852 6 ↓
Mid Mid (pH 6-8) 3.82 7.16 -13.97 2 6 0 78 415.852 6 ↓

Activity (Go SEA)

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