UCSF

ZINC21300840

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 19 No

Popular Name: N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-methyloxirane-2-carboxamide N-(4-Cyano-3-(trifluoromethyl)ph…

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CAS Numbers: 90357-51-0 , [90357-51-0]

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) 1.97 3.57 -11.41 1 4 0 65 270.21 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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