UCSF

ZINC54422339

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 26 No

Popular Name: 5,6,7-trimethyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 5,6,7-trimethyl-1-[[4-(2-pyridyl…

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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) 1.64 11.71 -53.18 1 7 1 56 370.506 3 ↓
Mid Mid (pH 6-8) 1.64 11.41 -26.97 0 7 0 55 369.498 3 ↓
Lo Low (pH 4.5-6) 1.64 13.08 -61.02 1 7 1 56 370.506 3 ↓
Lo Low (pH 4.5-6) 1.64 13.4 -116.52 2 7 2 57 371.514 3 ↓

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

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