UCSF

ZINC09242491

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 35 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(4-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) 2.73 7.91 -56.85 0 8 -1 95 478.569 11 ↓
Mid Mid (pH 6-8) 2.15 -1.33 -53.28 1 8 1 90 480.585 11 ↓
Mid Mid (pH 6-8) 2.73 10.25 -79.47 1 8 0 96 479.577 11 ↓
Lo Low (pH 4.5-6) 3.18 -0.87 -114.13 3 8 2 94 481.593 10 ↓
Lo Low (pH 4.5-6) 2.15 -1.22 -104.93 2 8 2 91 481.593 11 ↓

Activity (Go SEA)

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