UCSF

ZINC33540559

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 35 No

Popular Name: (4Z,5S)-5-(3,4-diethoxyphenyl)-4-[hydroxy(p-tolyl)methylene]-1-(4-pyridylmethyl)pyrrolidine-2,3-dion (4Z,5S)-5-(3,4-diethoxyphenyl)-4…

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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) 3.33 12.26 -60.41 0 7 -1 92 471.533 9 ↓
Lo Low (pH 4.5-6) 3.33 10.96 -23.23 1 7 0 89 472.541 9 ↓
Lo Low (pH 4.5-6) 3.33 11.4 -61.92 2 7 1 90 473.549 9 ↓

Activity (Go SEA)

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