UCSF

ZINC69812654

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: 5-[[(2R)-2-(1,3-dioxolan-2-yl)-1-piperidyl]methyl]-3-(3-pyridyl)-1,2,4-oxadiazole 5-[[(2R)-2-(1,3-dioxolan-2-yl)-1…

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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) 1.48 2.46 -9.23 0 7 0 74 316.361 4 ↓
Mid Mid (pH 6-8) 1.48 4.62 -37.7 1 7 1 75 317.369 4 ↓
Lo Low (pH 4.5-6) 1.48 5.07 -85.58 2 7 2 76 318.377 4 ↓

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

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