UCSF

ZINC03830636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 29 No

Popular Name: 3,7,12-trioxocholan-24-oic acid 3,7,12-trioxocholan-24-oic acid

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CAS Number: 81-23-2

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) 2.77 2.51 -56.02 0 5 -1 91 401.523 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.867 Bitter DB

Activity (Go SEA)

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