UCSF

ZINC35543729

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 33 No

Popular Name: (4aR,5S)-8-nitro-3-(2-pyridyl)-N-(4-pyridylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5- (4aR,5S)-8-nitro-3-(2-pyridyl)-N…

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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) 2.23 10.98 -45.33 2 9 1 108 445.503 5 ↓
Mid Mid (pH 6-8) 2.23 10.65 -17.31 1 9 0 107 444.495 5 ↓
Lo Low (pH 4.5-6) 2.23 11.44 -90.2 3 9 2 110 446.511 5 ↓

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