UCSF

ZINC56871169

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Substance Information

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

Popular Name: 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al 3alpha,7alpha-dihydroxy-5beta-ch…

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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) 6.07 8.89 -7.67 2 3 0 58 418.662 6 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_10005; REACT_9960 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol

Rings

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

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