UCSF

ZINC49389580

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

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

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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) 1.12 10.55 -37.23 1 5 1 40 306.44 4 ↓
Mid Mid (pH 6-8) 1.12 8.04 -15.28 0 5 0 38 305.432 4 ↓

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

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