UCSF

ZINC09046908

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 33 No

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

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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) 0.61 4.04 -58.34 0 9 -1 104 452.487 8 ↓
Mid Mid (pH 6-8) 1.06 5.97 -48.95 2 9 1 103 454.503 7 ↓
Mid Mid (pH 6-8) 0.61 6.38 -70.56 1 9 0 105 453.495 8 ↓
Lo Low (pH 4.5-6) 1.06 6.25 -123.73 3 9 2 104 455.511 7 ↓

Activity (Go SEA)

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