UCSF

ZINC18010282

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 31 No

Popular Name: (4Z,5S)-4-[(4-butoxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dion (4Z,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) 2.89 8.4 -60.01 0 7 -1 92 423.489 11 ↓
Mid Mid (pH 6-8) 2.31 9.06 -22.09 0 7 0 86 424.497 11 ↓
Mid Mid (pH 6-8) 3.34 8.01 -20.9 1 7 0 89 424.497 10 ↓
Lo Low (pH 4.5-6) 3.34 8.3 -56.66 2 7 1 90 425.505 10 ↓
Lo Low (pH 4.5-6) 2.31 9.34 -59.37 1 7 1 87 425.505 11 ↓

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