UCSF

ZINC03831600

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 28 No

Popular Name: 3,7-dihydroxycholan-24-oic acid 3,7-dihydroxycholan-24-oic acid

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CAS Numbers: 128-13-2 , 474-25-9 , 83-49-8 , [474-25-9]

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) 4.25 -2.69 -49.09 2 4 -1 80 391.572 4 ↓

Activity (Go SEA)

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