UCSF

ZINC13209292

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 29 No

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

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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) 2.06 6.8 -69.19 1 6 -1 94 385.399 5 ↓
Mid Mid (pH 6-8) 2.06 5.99 -13.31 2 6 0 91 386.407 5 ↓
Mid Mid (pH 6-8) 1.48 6.37 -13.29 1 6 0 88 386.407 5 ↓
Lo Low (pH 4.5-6) 2.06 6.27 -39.5 3 6 1 92 387.415 5 ↓
Lo Low (pH 4.5-6) 1.48 6.65 -40.57 2 6 1 89 387.415 5 ↓

Activity (Go SEA)

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