UCSF

ZINC39899123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 Yes

Popular Name: (4R,6aS)-4-(3-butoxyphenyl)-3-(5-chloro-2-hydroxy-phenyl)-5-[(4-methoxyphenyl)methyl]-4,6a-dihydropy (4R,6aS)-4-(3-butoxyphenyl)-3-(5…

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) 6.32 10.46 -10.36 2 7 0 88 518.013 9 ↓
Mid Mid (pH 6-8) 6.32 10.57 -12.82 2 7 0 88 518.013 9 ↓

Activity (Go SEA)

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