UCSF

ZINC66073934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 Yes

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

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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) 2.59 14.23 -114.48 1 7 0 84 402.454 4 ↓
Hi High (pH 8-9.5) 2.59 12 -85.48 0 7 -1 83 401.446 4 ↓
Lo Low (pH 4.5-6) 2.59 14.71 -149.92 2 7 1 85 403.462 4 ↓

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

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