UCSF

ZINC67741729

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

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

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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) 1.70 7.97 -45.67 2 4 1 50 312.368 4 ↓
Mid Mid (pH 6-8) 1.70 5.94 -11.33 1 4 0 49 311.36 4 ↓

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

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