UCSF

ZINC13657250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: O1-(3-{[2-oxo-5-(trifluoromethyl)-1,2-dihydro-1-pyridinyl]methyl}benzoyl)-4-chloro-1-benzenecarbohydroximamide O1-(3-{[2-oxo-5-(trifluoromethyl…

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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) 4.14 12.77 -24.9 2 6 0 87 449.816 7 ↓
Lo Low (pH 4.5-6) 4.27 12.64 -43.15 3 6 1 86 450.824 8 ↓

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

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