UCSF

ZINC65492496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: (9aR)-8-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-1, (9aR)-8-[(2,2-difluoro-1,3-benzo…

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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) 0.43 0.58 -15.6 1 7 0 71 339.298 2 ↓
Lo Low (pH 4.5-6) 0.43 2.83 -59.53 2 7 1 72 340.306 2 ↓

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

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