UCSF

ZINC18101180

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 30 No

Popular Name: (4E,5R)-4-(hydroxy-phenyl-methylene)-5-(2-methoxyphenyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione (4E,5R)-4-(hydroxy-phenyl-methyl…

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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) 2.55 8.58 -61.1 0 6 -1 83 399.426 6 ↓
Mid Mid (pH 6-8) 1.97 11.01 -11.18 0 6 0 77 400.434 6 ↓
Lo Low (pH 4.5-6) 1.97 11.29 -41.56 1 6 1 78 401.442 6 ↓
Lo Low (pH 4.5-6) 2.55 7.75 -14.44 1 6 0 80 400.434 6 ↓

Activity (Go SEA)

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