UCSF

ZINC39898556

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 Yes

Popular Name: (4S,6aS)-3-(5-chloro-2-hydroxy-phenyl)-5-pentyl-4-(4-propoxyphenyl)-4,6a-dihydropyrrolo[3,4-c]pyrazo (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) 6.28 11.04 -35.61 1 6 -1 81 452.962 9 ↓
Mid Mid (pH 6-8) 6.28 10.27 -12.49 2 6 0 78 453.97 9 ↓
Mid Mid (pH 6-8) 6.28 10.08 -10.41 2 6 0 78 453.97 9 ↓

Activity (Go SEA)

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