UCSF

ZINC38811379

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 28 No

Popular Name: 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-, O-(2-morpholinoethyl)oxime; BRN 4735335; LS-40292; Morpholinoethoxyimino-2 dimethoxy-9,10 hexahydro-1,2,3,4,6,7 11b-H benzo(a)quinolizine 2H-Benzo(a)quinolizin-2-one, 1,3…

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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) 1.71 4.2 -10.5 0 7 0 56 389.496 6 ↓
Mid Mid (pH 6-8) 1.71 6.38 -49.09 1 7 1 57 390.504 6 ↓
Mid Mid (pH 6-8) 1.71 6.5 -41.01 1 7 1 57 390.504 6 ↓
Lo Low (pH 4.5-6) 1.71 8.66 -97.86 2 7 2 58 391.512 6 ↓

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