UCSF

ZINC85551925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2013 28 No

Popular Name: 7a-Hydroxy-3-oxo-5b-cholanoic acid 7a-Hydroxy-3-oxo-5b-cholanoic acid

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 4.06 10.15 -50.43 1 4 -1 77 389.556 4 ↓
Lo Low (pH 4.5-6) 4.06 8.17 -10.24 2 4 0 75 390.564 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.