UCSF

ZINC09009531

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 37 No

Popular Name: 4-[(4-benzyloxyphenyl)-hydroxy-methylene]-1-(2-morpholinoethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione 4-[(4-benzyloxyphenyl)-hydroxy-m…

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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) 2.67 8.6 -60.01 0 8 -1 95 498.559 9 ↓
Mid Mid (pH 6-8) 2.09 10.56 -49.31 1 8 1 90 500.575 9 ↓
Mid Mid (pH 6-8) 3.12 9.92 -47.95 2 8 1 93 500.575 8 ↓
Mid Mid (pH 6-8) 2.67 10.95 -75.39 1 8 0 96 499.567 9 ↓
Lo Low (pH 4.5-6) 2.67 10.48 -108.64 3 8 2 95 501.583 9 ↓
Lo Low (pH 4.5-6) 2.09 10.84 -116.96 2 8 2 91 501.583 9 ↓

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