UCSF

ZINC65529150

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Substance Information

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

Popular Name: (5R)-5-[(2S)-1-(2H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-(2-pyridyl)-4,5-dihydro-1,2,4-oxadiazole (5R)-5-[(2S)-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 2.79 -31.31 3 7 1 80 299.358 4 ↓
Hi High (pH 8-9.5) -0.52 2.08 -15.2 2 7 0 78 298.35 4 ↓
Mid Mid (pH 6-8) -0.52 4.18 -37.12 3 7 1 80 299.358 4 ↓
Mid Mid (pH 6-8) -0.52 4.79 -99.02 4 7 2 81 300.366 4 ↓
Lo Low (pH 4.5-6) -0.52 4.77 -90.38 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.