UCSF

ZINC43212108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 33 No

Popular Name: (1R,3S,3aS,6aS)-5-(4-acetylphenyl)-3-isopropyl-1-(2-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyr (1R,3S,3aS,6aS)-5-(4-acetylpheny…

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) 0.87 9.25 -39.89 2 8 0 120 450.491 6 ↓
Mid Mid (pH 6-8) 0.87 8.41 -55.59 1 8 -1 116 449.483 6 ↓

Activity (Go SEA)

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