UCSF

ZINC33624937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 36 No

Popular Name: (3aS,4R,6S,6aS)-6-(cyclohexylmethyl)-4-(2-hydroxyphenyl)-2-(3-nitrophenyl)-1,3-dioxo-3a,4,5,6a-tetra (3aS,4R,6S,6aS)-6-(cyclohexylmet…

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) 2.45 11.39 -55.65 3 10 0 160 493.516 6 ↓
Hi High (pH 8-9.5) 2.45 8.06 -51.57 2 10 -1 156 492.508 6 ↓
Hi High (pH 8-9.5) 2.45 11.51 -58.52 2 10 -1 163 492.508 6 ↓
Hi High (pH 8-9.5) 2.45 11.29 -70.57 2 10 -1 156 492.508 6 ↓

Activity (Go SEA)

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