UCSF

ZINC57919406

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 23 Yes

Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one 2-[[4-(2,2-difluoroethyl)piperaz…

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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) 1.96 5.51 -36.04 1 5 1 42 323.367 4 ↓
Mid Mid (pH 6-8) 1.96 5.1 -15.06 0 5 0 41 322.359 4 ↓
Lo Low (pH 4.5-6) 1.96 7.62 -90.29 2 5 2 43 324.375 4 ↓

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

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