UCSF

ZINC06786185

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 28 No

Popular Name: 5-(4-fluorophenyl)-4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione 5-(4-fluorophenyl)-4-[hydroxy-(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) 2.58 6.94 -56.13 0 6 -1 79 384.383 7 ↓
Mid Mid (pH 6-8) 3.03 0.81 -21.6 1 6 0 76 385.391 6 ↓
Mid Mid (pH 6-8) 2.00 0.49 -13.27 0 6 0 72 385.391 7 ↓

Activity (Go SEA)

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