UCSF

ZINC65529160

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 No

Popular Name: (5S)-5-[(2R)-1-(2H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-(2-pyridyl)-4,5-dihydro-1,2,4-oxadiazole (5S)-5-[(2R)-1-(2H-imidazol-2-yl…

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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) -0.52 2.87 -35.39 3 7 1 80 299.358 4 ↓
Hi High (pH 8-9.5) -0.52 1.98 -11.87 2 7 0 78 298.35 4 ↓
Mid Mid (pH 6-8) -0.52 3.83 -37.2 3 7 1 80 299.358 4 ↓
Mid Mid (pH 6-8) -0.52 4.77 -99.95 4 7 2 81 300.366 4 ↓
Lo Low (pH 4.5-6) -0.52 4.42 -91.33 4 7 2 81 300.366 4 ↓

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

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