UCSF

ZINC34806477

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 32 No

Popular Name: 4-(3-(4-Cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl)-2-fluoro-N-methylbenzamide 4-(3-(4-Cyano-3-(trifluoromethyl…

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CAS Numbers: 915087-33-1 , [915087-33-1]

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) 4.03 11.17 -21.58 1 6 0 76 464.444 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.36e-03 g/l DrugBank-approved
Purity 95+% Matrix Scientific
Target Androgen Receptor, P450 Selleck Chemicals
Warnings IRRITANT Matrix Scientific

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

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