UCSF

ZINC63729650

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 24 Yes

Popular Name: 4-[[isopropyl-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]amino]methyl]benzonitrile 4-[[isopropyl-[(3-oxo-[1,2,4]tri…

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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) 2.32 11.43 -45.27 1 6 1 68 322.392 5 ↓
Mid Mid (pH 6-8) 2.32 9.9 -14.11 0 6 0 66 321.384 5 ↓

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

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