UCSF

ZINC13004460

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 30 No

Popular Name: (4Z,5S)-4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione (4Z,5S)-4-[(4-butoxyphenyl)-hydr…

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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) 2.57 7.6 -60.31 0 7 -1 92 409.462 10 ↓
Lo Low (pH 4.5-6) 1.98 8.62 -62.77 1 7 1 87 411.478 10 ↓
Lo Low (pH 4.5-6) 2.57 6.78 -17.33 1 7 0 89 410.47 10 ↓

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