UCSF

ZINC67965291

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

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

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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) 1.38 7.28 -43.84 2 6 1 64 327.408 7 ↓
Mid Mid (pH 6-8) 1.38 4.93 -12.87 1 6 0 63 326.4 7 ↓

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

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