UCSF

ZINC08739796

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(4-methoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 4-[(4-ethoxyphenyl)-hydroxy-meth…

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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) 3.03 8.49 -62.45 0 7 -1 92 443.479 8 ↓
Mid Mid (pH 6-8) 2.45 -0.36 -11.94 0 7 0 85 444.487 8 ↓
Lo Low (pH 4.5-6) 3.48 0.07 -47.71 2 7 1 90 445.495 7 ↓
Lo Low (pH 4.5-6) 2.45 -0.24 -44.76 1 7 1 87 445.495 8 ↓
Lo Low (pH 4.5-6) 3.03 7.68 -18.6 1 7 0 89 444.487 8 ↓

Activity (Go SEA)

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