UCSF

ZINC35894601

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 No

Popular Name: [(4aS,5R)-8-nitro-3-(2-pyridyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-[(2S,6S)-2,6-dim [(4aS,5R)-8-nitro-3-(2-pyridyl)-…

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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) 2.94 11.39 -48.54 1 9 1 96 452.535 3 ↓
Mid Mid (pH 6-8) 2.94 11.11 -17.18 0 9 0 95 451.527 3 ↓

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