UCSF

ZINC35555405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 34 No

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

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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) 2.87 9.18 -58.35 2 9 1 95 472.61 7 ↓
Hi High (pH 8-9.5) 2.87 7.02 -15.02 1 9 0 94 471.602 7 ↓
Mid Mid (pH 6-8) 2.87 11.46 -106.45 3 9 2 96 473.618 7 ↓

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