UCSF

ZINC66073596

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 26 Yes

Popular Name: 1-[(4-imidazol-1-yl-1-piperidyl)methyl]-4-oxo-quinolizine-3-carboxylic 1-[(4-imidazol-1-yl-1-piperidyl)…

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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) 1.08 13.18 -146.99 2 7 1 85 353.402 4 ↓
Hi High (pH 8-9.5) 1.08 10.22 -82.57 0 7 -1 83 351.386 4 ↓
Mid Mid (pH 6-8) 1.08 12.47 -110.66 1 7 0 84 352.394 4 ↓

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

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