UCSF

ZINC65530309

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: 3-[2-[(4R,5S)-5-(2H-imidazol-2-yl)-4-phenyl-imidazolidin-1-yl]ethyl]-1,3-oxazinan-2-one 3-[2-[(4R,5S)-5-(2H-imidazol-2-y…

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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) 1.47 3.77 -38.97 3 7 1 75 342.423 5 ↓
Hi High (pH 8-9.5) 1.47 3.25 -15.73 2 7 0 73 341.415 5 ↓
Mid Mid (pH 6-8) 1.47 6.22 -110.54 4 7 2 76 343.431 5 ↓

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

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