UCSF

ZINC61332109

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 24 Yes

Popular Name: 1-[[2-(dimethylamino)-4-pyridyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea 1-[[2-(dimethylamino)-4-pyridyl]…

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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) 0.63 6.5 -43.44 3 8 1 89 326.384 5 ↓
Mid Mid (pH 6-8) 0.63 6.07 -17.49 2 8 0 87 325.376 5 ↓

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

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