UCSF

ZINC57916707

Draw Identity 99% 90% 80% 70%

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]-3H-benzofuro[3,2-d]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) 2.24 3.75 -56.04 1 6 0 70 348.353 4 ↓
Hi High (pH 8-9.5) 2.24 1.45 -60.72 0 6 -1 68 347.345 4 ↓
Mid Mid (pH 6-8) 1.78 6.4 -57.84 2 6 1 67 349.361 4 ↓
Mid Mid (pH 6-8) 1.78 4.14 -17.63 1 6 0 65 348.353 4 ↓

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

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