UCSF

ZINC17252862

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 30 No

Popular Name: (4E,5R)-4-[hydroxy-(4-isobutoxyphenyl)methylene]-1-(2-methoxyethyl)-5-(4-pyridyl)pyrrolidine-2,3-dio (4E,5R)-4-[hydroxy-(4-isobutoxyp…

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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) 2.25 7.47 -56.2 0 7 -1 92 409.462 9 ↓
Mid Mid (pH 6-8) 1.67 7.8 -10.92 0 7 0 86 410.47 9 ↓
Mid Mid (pH 6-8) 2.25 7.44 -11.95 1 7 0 89 410.47 9 ↓
Lo Low (pH 4.5-6) 1.67 8.08 -44.63 1 7 1 87 411.478 9 ↓
Lo Low (pH 4.5-6) 2.25 7.72 -39.33 2 7 1 90 411.478 9 ↓

Activity (Go SEA)

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