UCSF

ZINC35894589

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 No

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

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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) 2.27 9 -44.25 2 10 1 108 481.577 7 ↓
Mid Mid (pH 6-8) 2.27 11.28 -94.76 3 10 2 109 482.585 7 ↓
Mid Mid (pH 6-8) 2.27 8.67 -18.01 1 10 0 107 480.569 7 ↓

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