UCSF

ZINC64539982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 24 Yes

Popular Name: 3-[[2-(2-pyridyl)-6,7-dihydro-4H-oxazolo[5,4-c]pyridin-5-yl]methyl]benzonitrile 3-[[2-(2-pyridyl)-6,7-dihydro-4H…

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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) 2.45 5.41 -15.03 0 5 0 66 316.364 3 ↓
Mid Mid (pH 6-8) 2.45 7.65 -58.75 1 5 1 67 317.372 3 ↓
Lo Low (pH 4.5-6) 2.45 8.12 -101.2 2 5 2 68 318.38 3 ↓

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

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