UCSF

ZINC03809191

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 29 No

Popular Name: Abiraterone Acetate Abiraterone Acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 154229-18-2 , 851895-79-9 , [154229-18-2]

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) 5.13 3.14 -8.09 0 3 0 39 391.555 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.01e-03 g/l DrugBank-approved
Purity 95% Fluorochem
Target P450 Selleck Chemicals
Target P450 (e.g. CYP17) Selleck Chemicals

Activity (Go SEA)

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