UCSF

ZINC39898642

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Popular Name: (4S,6aS)-5-allyl-3-(5-chloro-2-hydroxy-phenyl)-4-(3-phenoxyphenyl)-4,6a-dihydropyrrolo[3,4-c]pyrazol (4S,6aS)-5-allyl-3-(5-chloro-2-h…

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) 5.77 10.37 -10.62 2 6 0 78 457.917 6 ↓
Mid Mid (pH 6-8) 5.77 10.43 -12.13 2 6 0 78 457.917 6 ↓

Activity (Go SEA)

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