UCSF

ZINC31571434

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 23 Yes

Popular Name: 1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-2-oxo-2H-benzo(a)quinolizine-3-propanenitrile; 2H-Benzo(a)quinolizine-3-propanenitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-oxo-; 2H-Benzo(a)quinolizine-3-propionitrile, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2- 1,3,4,6,7,11b-Hexahydro-9,10-dim…

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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) 0.94 6.37 -13.67 0 5 0 63 314.385 4 ↓
Mid Mid (pH 6-8) 0.94 8.54 -61.11 1 5 1 64 315.393 4 ↓

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