UCSF

ZINC35894178

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 Yes

Popular Name: (4aR,5S)-N-(3-morpholinopropyl)-3-phenethyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxa (4aR,5S)-N-(3-morpholinopropyl)-…

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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) 3.34 10.54 -45.25 2 6 1 49 463.646 8 ↓
Mid Mid (pH 6-8) 3.34 12.82 -93.72 3 6 2 50 464.654 8 ↓
Mid Mid (pH 6-8) 3.34 8.28 -11.34 1 6 0 48 462.638 8 ↓

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