UCSF

ZINC69134898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 Yes

Popular Name: 5-[[(2S,6R)-2,6-dimethylpiperazin-1-yl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 5-[[(2S,6R)-2,6-dimethylpiperazi…

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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) -0.04 4.07 -57.77 2 7 0 86 262.317 2 ↓
Hi High (pH 8-9.5) -0.04 2.73 -43.68 1 7 -1 81 261.309 2 ↓
Lo Low (pH 4.5-6) -0.49 4.5 -55.23 3 7 1 83 263.325 2 ↓

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

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