UCSF

ZINC67226609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 35 Yes

Popular Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-7-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[3,4-f]pyrimi 2-[2-(4-benzylpiperazin-1-yl)-2-…

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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) 2.03 11.03 -17.67 0 9 0 85 472.549 6 ↓
Mid Mid (pH 6-8) 2.03 13.24 -56.77 1 9 1 86 473.557 6 ↓

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

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