UCSF

ZINC66157193

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 28 Yes

Popular Name: 1-[[4-(2-fluoro-3-pyridyl)-1-piperidyl]methyl]-4-oxo-quinolizine-3-carboxylic 1-[[4-(2-fluoro-3-pyridyl)-1-pip…

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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) 2.23 11.95 -108.52 1 6 0 79 381.407 4 ↓
Hi High (pH 8-9.5) 2.23 9.69 -84.28 0 6 -1 78 380.399 4 ↓

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Rings

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

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