UCSF

ZINC52842893

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 No

Popular Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide 2-[3-(4-methoxyphenyl)-5-thioxo-…

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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) 2.65 10.35 -17.07 1 6 0 63 374.51 5 ↓
Mid Mid (pH 6-8) 3.37 10.44 -57.98 0 6 -1 60 373.502 5 ↓

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

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