UCSF

ZINC33860909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 37 No

Popular Name: (3aS,4S,6S,6aR)-2-cyclohexyl-4-(2,5-dimethylphenyl)-6-[(4-nitrophenyl)methyl]-1,3-dioxo-3a,4,5,6a-te (3aS,4S,6S,6aR)-2-cyclohexyl-4-(…

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) 2.63 14.18 -51.49 1 9 -1 135 504.563 6 ↓
Lo Low (pH 4.5-6) 2.63 14.26 -40.16 2 9 0 140 505.571 6 ↓

Activity (Go SEA)

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