UCSF

ZINC06564900

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 30 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-methoxypropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 2.10 6.85 -63.68 0 7 -1 92 407.446 10 ↓
Mid Mid (pH 6-8) 1.51 -0.78 -15.71 0 7 0 85 408.454 10 ↓
Lo Low (pH 4.5-6) 2.54 -0.44 -57.39 2 7 1 90 409.462 9 ↓
Lo Low (pH 4.5-6) 2.10 6.04 -20.29 1 7 0 89 408.454 10 ↓

Activity (Go SEA)

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