UCSF

ZINC48797504

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 No

Popular Name: (E)-3-(4-pyridyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)prop-2-enamide (E)-3-(4-pyridyl)-N-([1,2,4]tria…

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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) 1.33 8.92 -24.81 1 6 0 72 265.276 3 ↓
Mid Mid (pH 6-8) 1.51 7 -58.17 0 6 -1 79 264.268 3 ↓
Lo Low (pH 4.5-6) 1.33 9.38 -58.41 2 6 1 73 266.284 3 ↓

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

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