UCSF

ZINC57968929

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 24 Yes

Popular Name: 2-[2-[[3-(difluoromethoxy)phenyl]methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[3-(difluoromethoxy)phenyl…

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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) 2.25 8.08 -50.27 2 6 1 65 335.334 7 ↓
Hi High (pH 8-9.5) 2.25 6.73 -15.38 1 6 0 61 334.326 7 ↓

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

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