UCSF

ZINC67935131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 6-ethoxy-3-[[methyl(1H-pyrazol-3-ylmethyl)amino]methyl]-1H-quinolin-2-one 6-ethoxy-3-[[methyl(1H-pyrazol-3…

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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) 1.32 5.85 -37.9 3 6 1 75 313.381 6 ↓
Mid Mid (pH 6-8) 1.32 3.5 -12.75 2 6 0 74 312.373 6 ↓

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

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