UCSF

ZINC09374568

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 29 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(2-methoxyethyl)-5-(4-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) 1.77 6.61 -60.61 0 7 -1 92 393.419 9 ↓
Mid Mid (pH 6-8) 2.22 -0.41 -21.55 1 7 0 88 394.427 8 ↓
Mid Mid (pH 6-8) 1.19 -0.54 -14.59 0 7 0 85 394.427 9 ↓
Lo Low (pH 4.5-6) 2.22 6.24 -60.77 2 7 1 90 395.435 8 ↓
Lo Low (pH 4.5-6) 1.19 -0.42 -49.01 1 7 1 87 395.435 9 ↓

Activity (Go SEA)

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