UCSF

ZINC09350550

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 No

Popular Name: 4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-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) 2.78 7.86 -60.4 0 8 -1 95 478.569 11 ↓
Mid Mid (pH 6-8) 2.20 -1.38 -51.18 1 8 1 90 480.585 11 ↓
Mid Mid (pH 6-8) 3.23 10.41 -53.65 2 8 1 93 480.585 10 ↓
Mid Mid (pH 6-8) 2.78 10.19 -80.5 1 8 0 96 479.577 11 ↓
Lo Low (pH 4.5-6) 3.23 10.69 -104.47 3 8 2 95 481.593 10 ↓
Lo Low (pH 4.5-6) 2.20 -1.27 -105.33 2 8 2 91 481.593 11 ↓

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