UCSF

ZINC66066459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 30 Yes

Popular Name: 1-[[(4R)-4-ethoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-4-oxo-quinolizine-3-carboxylic 1-[[(4R)-4-ethoxycarbonyl-3,4-di…

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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) 1.79 11.64 -81.97 0 7 -1 91 405.43 6 ↓
Mid Mid (pH 6-8) 1.79 13.91 -100.96 1 7 0 92 406.438 6 ↓

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

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