UCSF

ZINC56874710

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 30 No

Popular Name: (23R)-3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic Acid (23R)-3alpha,7alpha,12alpha,23-T…

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CAS Number: 6879-45-4

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) 2.42 2.06 -48.86 4 6 -1 121 423.57 4 ↓

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

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