UCSF

ZINC08837241

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 33 No

Popular Name: 5-(4-ethoxy-3-methoxy-phenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(4-ethoxy-3-methoxy-phenyl)-4-…

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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) 2.56 9.06 -63.71 0 7 -1 92 443.479 8 ↓
Mid Mid (pH 6-8) 1.98 -0.08 -13.46 0 7 0 85 444.487 8 ↓
Lo Low (pH 4.5-6) 1.98 0.05 -45.64 1 7 1 87 445.495 8 ↓
Lo Low (pH 4.5-6) 2.56 8.23 -19.39 1 7 0 89 444.487 8 ↓

Activity (Go SEA)

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