UCSF

ZINC67934930

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Substance Information

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

Popular Name: 6-ethoxy-3-[(3-oxo-1,4-diazepan-1-yl)methyl]-1H-quinolin-2-one 6-ethoxy-3-[(3-oxo-1,4-diazepan-…

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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) 1.04 4.14 -47.34 3 6 1 76 316.381 4 ↓
Mid Mid (pH 6-8) 1.04 2.06 -17.16 2 6 0 74 315.373 4 ↓

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

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