UCSF

ZINC49281461

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 No

Popular Name: 2-[[methyl-(4-methylcyclohexyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridine-3-thione 2-[[methyl-(4-methylcyclohexyl)a…

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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) 2.51 11.97 -35.49 1 4 1 27 291.444 3 ↓
Hi High (pH 8-9.5) 2.51 9.4 -12.5 0 4 0 25 290.436 3 ↓

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

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