UCSF

ZINC66066455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 31 Yes

Popular Name: 4-oxo-1-[[6-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]quinolizine-3-carboxylic 4-oxo-1-[[6-(4-pyridyl)-3,4-dihy…

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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) 2.89 14.13 -108.74 1 6 0 79 411.461 4 ↓
Mid Mid (pH 6-8) 2.89 11.86 -85.32 0 6 -1 78 410.453 4 ↓

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

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