UCSF

ZINC08739085

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 34 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dion 4-[(4-ethoxyphenyl)-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) 4.49 11.99 -62.23 0 6 -1 83 455.534 8 ↓
Mid Mid (pH 6-8) 3.90 0.41 -10.18 0 6 0 76 456.542 8 ↓
Lo Low (pH 4.5-6) 4.93 0.93 -45.82 2 6 1 80 457.55 7 ↓
Lo Low (pH 4.5-6) 3.90 0.62 -42.78 1 6 1 77 457.55 8 ↓
Lo Low (pH 4.5-6) 4.49 11.17 -16.45 1 6 0 80 456.542 8 ↓

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