UCSF

ZINC06620764

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 31 No

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

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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) 2.81 8.3 -59.61 0 7 -1 92 423.489 11 ↓
Mid Mid (pH 6-8) 2.81 -0.45 -15.61 1 7 0 88 424.497 11 ↓
Mid Mid (pH 6-8) 2.23 -0.53 -24.27 0 7 0 85 424.497 11 ↓
Lo Low (pH 4.5-6) 2.81 -0.34 -48.76 2 7 1 90 425.505 11 ↓

Activity (Go SEA)

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