UCSF

ZINC39914570

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Popular Name: (4R,6aS)-5-allyl-3-(5-chloro-2-hydroxy-4-methyl-phenyl)-4-(4-hexoxyphenyl)-4,6a-dihydropyrrolo[3,4-c (4R,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) 6.92 11.22 -10.37 2 6 0 78 480.008 10 ↓
Mid Mid (pH 6-8) 6.92 11.98 -47.31 1 6 -1 81 479 10 ↓

Activity (Go SEA)

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