UCSF

ZINC52569336

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 25 No

Popular Name: 5,7-dimethyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,7-dimethyl-1-[[4-(2-pyridyl)pi…

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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) 1.26 11.28 -54.29 1 7 1 56 356.479 3 ↓
Mid Mid (pH 6-8) 1.26 10.96 -28.02 0 7 0 55 355.471 3 ↓
Lo Low (pH 4.5-6) 1.26 12.65 -62.69 1 7 1 56 356.479 3 ↓
Lo Low (pH 4.5-6) 1.26 12.96 -117.85 2 7 2 57 357.487 3 ↓

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

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