UCSF

ZINC35894838

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Substance Information

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

Popular Name: (4aS,5R)-3-cyclopentyl-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline- (4aS,5R)-3-cyclopentyl-N-(2-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) 2.60 8.58 -52.11 2 9 1 95 458.583 6 ↓
Mid Mid (pH 6-8) 2.60 10.84 -104.3 3 9 2 96 459.591 6 ↓
Mid Mid (pH 6-8) 2.60 6.36 -13.82 1 9 0 94 457.575 6 ↓

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