UCSF

ZINC67954486

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[(3-ethylisoxazol-5-yl)methyl-methyl-amino]methyl]-7-methoxy-1H-quinolin-2-one 3-[[(3-ethylisoxazol-5-yl)methyl…

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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) 1.84 6.98 -47.42 2 6 1 73 328.392 6 ↓
Mid Mid (pH 6-8) 1.84 4.65 -14.08 1 6 0 71 327.384 6 ↓

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

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