UCSF

ZINC49424498

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide N-[5-(2-pyridyl)-4H-1,2,4-triazo…

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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) 0.16 2.98 -59.4 1 8 -1 108 272.244 3 ↓
Mid Mid (pH 6-8) -0.02 4.67 -58.67 1 8 -1 100 272.244 3 ↓
Mid Mid (pH 6-8) -0.02 4.82 -18.12 2 8 0 102 273.252 3 ↓

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

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