UCSF

ZINC09350551

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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 7.74 -60.99 0 8 -1 95 478.569 11 ↓
Mid Mid (pH 6-8) 3.23 9.75 -50.48 2 8 1 93 480.585 10 ↓
Mid Mid (pH 6-8) 2.78 10.07 -83.52 1 8 0 96 479.577 11 ↓
Lo Low (pH 4.5-6) 3.23 10.03 -109.67 3 8 2 95 481.593 10 ↓

Activity (Go SEA)

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