UCSF

ZINC35894736

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 No

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

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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 9.39 -16.69 1 10 0 118 490.564 6 ↓
Mid Mid (pH 6-8) 2.60 11.67 -59.39 2 10 1 119 491.572 6 ↓

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