UCSF

ZINC09333954

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 No

Popular Name: 4-[(4-chlorophenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione 4-[(4-chlorophenyl)-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) 1.91 6.62 -54 0 7 -1 86 440.907 7 ↓
Mid Mid (pH 6-8) 2.36 7.93 -45.4 2 7 1 84 442.923 6 ↓
Mid Mid (pH 6-8) 1.33 -1.81 -48.16 1 7 1 81 442.923 7 ↓
Mid Mid (pH 6-8) 1.91 8.95 -75.74 1 7 0 87 441.915 7 ↓
Lo Low (pH 4.5-6) 1.33 -1.7 -113.54 2 7 2 82 443.931 7 ↓
Lo Low (pH 4.5-6) 1.91 8.59 -105.64 3 7 2 85 443.931 7 ↓

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