UCSF

ZINC67513872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 24 Yes

Popular Name: 7-methoxy-3-[[methyl-[(3-methyl-4-pyridyl)methyl]amino]methyl]-1H-quinolin-2-one 7-methoxy-3-[[methyl-[(3-methyl-…

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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) 1.46 4.91 -13.06 1 5 0 58 323.396 5 ↓
Lo Low (pH 4.5-6) 1.46 7.21 -47.7 2 5 1 59 324.404 5 ↓
Lo Low (pH 4.5-6) 1.46 5.37 -39.96 2 5 1 59 324.404 5 ↓

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

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