UCSF

ZINC55035826

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 Yes

Popular Name: 3-[[butyl(2-furylmethyl)amino]methyl]-7-fluoro-1H-quinolin-2-one 3-[[butyl(2-furylmethyl)amino]me…

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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) 3.13 9.52 -39.41 2 4 1 50 329.395 7 ↓
Hi High (pH 8-9.5) 3.13 7.43 -13.32 1 4 0 49 328.387 7 ↓

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

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