UCSF

ZINC17249322

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Substance Information

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

Popular Name: (4E,5S)-4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione (4E,5S)-4-[(4-butoxyphenyl)-hydr…

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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) 2.62 7.66 -63.59 0 7 -1 92 409.462 10 ↓
Mid Mid (pH 6-8) 3.07 7.13 -15.86 1 7 0 89 410.47 9 ↓
Mid Mid (pH 6-8) 2.04 7.74 -14.99 0 7 0 86 410.47 10 ↓
Lo Low (pH 4.5-6) 3.07 7.43 -51.35 2 7 1 90 411.478 9 ↓
Lo Low (pH 4.5-6) 2.04 8.03 -47.34 1 7 1 87 411.478 10 ↓

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