UCSF

ZINC61389422

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 33 No

Popular Name: GLYCOCHOLIC ACID GLYCOCHOLIC ACID

Find On: PubMed — Wikipedia — Google

CAS Number: 475-31-0

Other Names:

MFCD03935326

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) 1.52 2.8 -49.29 4 7 -1 130 464.623 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1059917A1; US6110499; WO1999044592A1 IBM Patent Data

Activity (Go SEA)

Rings

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

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