UCSF

ZINC57915938

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 27 No

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamid 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) 0.50 1.99 -17.52 2 8 0 85 387.431 5 ↓
Hi High (pH 8-9.5) 0.68 0.8 -57.72 1 8 -1 91 386.423 5 ↓
Lo Low (pH 4.5-6) 0.50 4.14 -44.34 3 8 1 86 388.439 5 ↓

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

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