UCSF

ZINC09009434

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-dimethylaminopropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione 4-[(4-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) 2.94 10.2 -72.8 1 7 0 87 437.54 11 ↓
Mid Mid (pH 6-8) 2.35 10.4 -44.23 1 7 1 81 438.548 11 ↓
Mid Mid (pH 6-8) 3.38 9.73 -44.68 2 7 1 84 438.548 10 ↓
Lo Low (pH 4.5-6) 2.35 10.69 -108.27 2 7 2 82 439.556 11 ↓
Lo Low (pH 4.5-6) 3.38 10.03 -117.85 3 7 2 85 439.556 10 ↓

Activity (Go SEA)

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