UCSF

ZINC58003423

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 13 Yes

Popular Name: N-(4H-1,2,4-triazol-3-yl)-1H-pyrazole-3-carboxamide N-(4H-1,2,4-triazol-3-yl)-1H-pyr…

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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) -0.78 2.67 -17.11 3 7 0 99 178.155 2 ↓
Mid Mid (pH 6-8) -0.71 0.98 -50.79 2 7 -1 106 177.147 2 ↓
Mid Mid (pH 6-8) -0.78 2.48 -50.49 2 7 -1 98 177.147 2 ↓

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

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