UCSF

ZINC67172744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 24 Yes

Popular Name: 7-[4-(2,3-dimethylphenyl)piperazin-1-yl][1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one 7-[4-(2,3-dimethylphenyl)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) 2.32 11.14 -12.8 1 7 0 70 324.388 2 ↓
Mid Mid (pH 6-8) 2.32 11.04 -50.34 2 7 1 71 325.396 2 ↓

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

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