UCSF

ZINC08738648

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Substance Information

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

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

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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) 4.03 10.23 -65.3 0 7 -1 92 443.479 7 ↓
Mid Mid (pH 6-8) 3.45 0.57 -11.41 0 7 0 85 444.487 7 ↓
Lo Low (pH 4.5-6) 4.47 1.16 -44.57 2 7 1 90 445.495 6 ↓
Lo Low (pH 4.5-6) 3.45 0.78 -41.2 1 7 1 87 445.495 7 ↓
Lo Low (pH 4.5-6) 4.03 9.41 -18.54 1 7 0 89 444.487 7 ↓

Activity (Go SEA)

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