UCSF

ZINC57914950

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 Yes

Popular Name: 2-[[4-(2,2-difluoroethyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-a 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) 2.45 4.93 -11.21 2 5 0 58 367.469 4 ↓
Lo Low (pH 4.5-6) 2.45 7.21 -35.11 3 5 1 59 368.477 4 ↓

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

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