UCSF

ZINC09334400

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 33 No

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

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Download: MOL2 SDF SMILES Flexibase

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) 3.01 9.35 -64.61 0 7 -1 92 443.479 8 ↓
Mid Mid (pH 6-8) 2.42 -0.38 -13.36 0 7 0 85 444.487 8 ↓
Mid Mid (pH 6-8) 3.45 8.55 -18.26 1 7 0 89 444.487 7 ↓
Lo Low (pH 4.5-6) 2.42 -0.26 -44.38 1 7 1 87 445.495 8 ↓
Lo Low (pH 4.5-6) 3.45 8.85 -45.79 2 7 1 90 445.495 7 ↓

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