UCSF

ZINC05408601

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 31 No

Popular Name: 4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(5-methyl-2-furyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione 4-[(3-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) 2.38 8.58 -62.78 0 7 -1 96 417.441 7 ↓
Mid Mid (pH 6-8) 2.82 0.13 -18.97 1 7 0 92 418.449 6 ↓
Mid Mid (pH 6-8) 1.79 0.24 -25.33 0 7 0 89 418.449 7 ↓
Lo Low (pH 4.5-6) 2.38 8.2 -57.29 2 7 1 94 419.457 7 ↓

Activity (Go SEA)

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