UCSF

ZINC33914346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 36 No

Popular Name: (3aS,4R,6R,6aR)-6-benzyl-4-(4-hydroxy-3,5-dimethyl-phenyl)-2-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tetrahydr (3aS,4R,6R,6aR)-6-benzyl-4-(4-hy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.58 12.38 -29.73 3 7 0 114 484.552 5 ↓
Mid Mid (pH 6-8) 2.58 10.98 -56.95 2 7 -1 110 483.544 5 ↓
Mid Mid (pH 6-8) 2.58 11.27 -51.29 2 7 -1 110 483.544 5 ↓

Activity (Go SEA)

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