UCSF

ZINC06382316

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 No

Popular Name: 4-[(2,5-dimethylphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[(2,5-dimethylphenyl)-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) 2.17 8.41 -59.51 0 6 -1 83 379.436 7 ↓
Mid Mid (pH 6-8) 2.17 0.01 -11.91 1 6 0 79 380.444 7 ↓
Mid Mid (pH 6-8) 1.58 -0.08 -19.91 0 6 0 76 380.444 7 ↓
Lo Low (pH 4.5-6) 2.17 0.12 -46.69 2 6 1 80 381.452 7 ↓

Activity (Go SEA)

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