UCSF

ZINC09046452

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 31 No

Popular Name: 5-(4-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(4-fluorophenyl)-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) 2.74 8.33 -63.21 0 6 -1 83 417.416 6 ↓
Mid Mid (pH 6-8) 2.15 0.37 -15.89 0 6 0 76 418.424 6 ↓
Lo Low (pH 4.5-6) 3.18 0.85 -44.39 2 6 1 80 419.432 5 ↓
Lo Low (pH 4.5-6) 2.15 0.49 -43.6 1 6 1 77 419.432 6 ↓
Lo Low (pH 4.5-6) 2.74 7.5 -20.84 1 6 0 80 418.424 6 ↓

Activity (Go SEA)

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