UCSF

ZINC67447356

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Popular Name: 3-[[ethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one 3-[[ethyl-[(1-methylimidazol-2-y…

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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) 0.86 4.98 -13.17 1 6 0 63 326.4 6 ↓
Mid Mid (pH 6-8) 0.86 5.79 -32.64 2 6 1 64 327.408 6 ↓
Lo Low (pH 4.5-6) 0.86 7.45 -39.32 2 6 1 64 327.408 6 ↓

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

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