UCSF

ZINC35894562

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 No

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

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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) 1.20 6.03 -54.24 2 9 1 95 404.491 5 ↓
Mid Mid (pH 6-8) 1.20 3.61 -14.17 1 9 0 94 403.483 5 ↓
Mid Mid (pH 6-8) 1.20 8.29 -104.29 3 9 2 96 405.499 5 ↓

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