UCSF

ZINC66914823

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 23 Yes

Popular Name: 4-(diethylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 4-(diethylamino)-N-([1,2,4]triaz…

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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) 3.01 10.88 -14.93 1 6 0 66 309.373 4 ↓
Mid Mid (pH 6-8) 2.90 10.09 -64.08 0 6 -1 69 308.365 5 ↓
Lo Low (pH 4.5-6) 3.01 10.98 -41.93 2 6 0 67 310.381 4 ↓

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

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