UCSF

ZINC65533782

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: (9aS)-8-[2-(benzimidazol-1-yl)acetyl]-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione (9aS)-8-[2-(benzimidazol-1-yl)ac…

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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) -0.98 3.83 -26.94 1 8 0 88 327.344 2 ↓
Lo Low (pH 4.5-6) -0.98 4.31 -47.39 2 8 1 89 328.352 2 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.