UCSF

ZINC03830639

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Substance Information

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

Popular Name: Deoxycholic acid sodium salt monohydrate Deoxycholic acid sodium salt mon…

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CAS Numbers: 145-41-5 , 145224-92-6 , 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) 2.78 11.41 -57.06 0 5 -1 91 401.523 4 ↓
Lo Low (pH 4.5-6) 2.78 9.43 -15.28 1 5 0 89 402.531 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.867 Bitter DB
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
Therapy choleretic SMDC MicroSource

Activity (Go SEA)

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