UCSF

ZINC57915008

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 Yes

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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 4.64 -16.03 1 6 0 54 381.423 5 ↓
Lo Low (pH 4.5-6) 3.34 6.77 -43.84 2 6 1 55 382.431 5 ↓
Lo Low (pH 4.5-6) 3.34 6.83 -48.64 2 6 1 55 382.431 5 ↓

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

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