UCSF

ZINC16874729

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 23 No

Popular Name: 2-[[4-(3-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-isopropyl-acetamide 2-[[4-(3-chlorophenyl)-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) 1.95 11.55 -45.01 2 6 1 56 354.887 6 ↓
Mid Mid (pH 6-8) 1.95 9.13 -17.23 1 6 0 55 353.879 6 ↓

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

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