UCSF

ZINC65498744

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 No

Popular Name: (3R)-4-[(4S,5R)-3-[(1-ethylimidazol-2-yl)methyl]-5-phenyl-imidazolidin-4-yl]-3,5-dimethyl-3H-pyrazol (3R)-4-[(4S,5R)-3-[(1-ethylimida…

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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) 2.48 6.41 -37.44 2 6 1 59 351.478 5 ↓
Hi High (pH 8-9.5) 2.48 5.83 -7.31 1 6 0 58 350.47 5 ↓
Mid Mid (pH 6-8) 2.48 7.83 -117.85 3 6 2 64 352.486 5 ↓
Lo Low (pH 4.5-6) 2.48 5.84 -41.97 2 6 1 59 351.478 5 ↓

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

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