UCSF

ZINC53397215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 31 Yes

Popular Name: N-[[2-(2-methylimidazol-1-yl)-4-pyridyl]methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide N-[[2-(2-methylimidazol-1-yl)-4-…

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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) -0.01 7.95 -18.76 2 9 0 109 418.457 6 ↓
Lo Low (pH 4.5-6) -0.01 8.42 -39.81 3 9 1 110 419.465 6 ↓

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

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