UCSF

ZINC67511077

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 No

Popular Name: 3-phenyl-N-[5-(p-tolyl)-4H-1,2,4-triazol-3-yl]-2-thioxo-1H-imidazole-4-carboxamide 3-phenyl-N-[5-(p-tolyl)-4H-1,2,4…

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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) 2.72 12.23 -26.2 3 7 0 91 376.445 4 ↓
Mid Mid (pH 6-8) 2.72 12.12 -58.76 2 7 -1 90 375.437 4 ↓

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

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