UCSF

ZINC33445842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 No

Popular Name: (4E,5R)-4-[(3-ethoxyphenyl)-hydroxy-methylene]-5-(p-tolyl)-1-(4-pyridylmethyl)pyrrolidine-2,3-dione (4E,5R)-4-[(3-ethoxyphenyl)-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) 3.34 11.02 -43.32 0 6 -1 83 427.48 7 ↓
Lo Low (pH 4.5-6) 3.34 9.89 -20.86 1 6 0 80 428.488 7 ↓
Lo Low (pH 4.5-6) 3.34 10.33 -50.82 2 6 1 81 429.496 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.