UCSF

ZINC67975130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: 7-chloro-3-[[methyl-[(1R)-1-(2-pyridyl)ethyl]amino]methyl]-1H-quinolin-2-one 7-chloro-3-[[methyl-[(1R)-1-(2-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) 2.33 8.85 -39.75 2 4 1 50 328.823 4 ↓
Mid Mid (pH 6-8) 2.33 6.64 -12.52 1 4 0 49 327.815 4 ↓

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

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