UCSF

ZINC39899014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 Yes

Popular Name: (4S,6aS)-3-(5-chloro-2-hydroxy-phenyl)-5-[(4-fluorophenyl)methyl]-4-phenyl-4,6a-dihydropyrrolo[3,4-c (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) 4.96 10.09 -11.04 2 5 0 69 433.87 4 ↓
Mid Mid (pH 6-8) 4.96 10.46 -12.76 2 5 0 69 433.87 4 ↓

Activity (Go SEA)

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