UCSF

ZINC39898565

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Popular Name: (4R,6aS)-4-(4-butoxy-3-methoxy-phenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-pentyl-4,6a-dihydropyrrolo[3, (4R,6aS)-4-(4-butoxy-3-methoxy-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) 6.42 11.05 -12.16 2 7 0 88 498.023 11 ↓
Mid Mid (pH 6-8) 6.42 11.29 -14.38 2 7 0 88 498.023 11 ↓

Activity (Go SEA)

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