UCSF

ZINC12494196

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 No

Popular Name: Cholesterol sulfate Cholesterol sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1256-86-6 , 2864-50-8 , 6614-96-6

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) 5.29 12.07 -43.53 0 4 -1 66 465.72 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0178683A1; EP0278465A1; EP0278465B1; EP0296212A1; EP0296212B1; EP0303683A1; EP0303683B1; EP0361894A2; EP0361894B1; EP0362258A1; EP0371366A1; EP0386680A1; EP0445229A1; EP0457326A1; EP0460100A1; EP0467954A1; EP0467954B1; EP0489206B1; EP0495009A1; EP049681 IBM Patent Data
Reactome Database Links REACT_6957 ChEBI
UniProt Database Links ST2B1_MOUSE; ST2B1_RAT ChEBI
Patent Database Links US2003166601; US2007184076; US2007202077 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cytosolic sulfonation of small molecules

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