UCSF

ZINC35543845

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 35 No

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

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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) 2.84 12.15 -16.71 1 9 0 118 468.517 5 ↓
Lo Low (pH 4.5-6) 2.84 12.61 -54.37 2 9 1 119 469.525 5 ↓

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