UCSF

ZINC05167145

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 27 No

Popular Name: Pregnenolone sulfate Pregnenolone sulfate

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CAS Numbers: 1247-64-9 , 1852-38-6

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) 1.67 -4.89 -48.45 0 5 -1 83 395.541 3 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_6805 ChEBI
UniProt Database Links ST2B1_MOUSE; ST2B1_RAT ChEBI
Patent Database Links WO2007103162 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cytosolic sulfonation of small molecules

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