UCSF

ZINC55088897

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: 7-fluoro-3-[[[(1S)-1-methylpropyl]-(3-thienylmethyl)amino]methyl]-1H-quinolin-2-one 7-fluoro-3-[[[(1S)-1-methylpropy…

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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) 3.23 9.49 -38.08 2 3 1 37 345.463 6 ↓
Hi High (pH 8-9.5) 3.23 7.84 -9.87 1 3 0 36 344.455 6 ↓

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

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