UCSF

ZINC04312668

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 29 No

Popular Name: 4-[hydroxy-(3-methoxyphenyl)-methylene]-1-(3-pyridylmethyl)-5-(2-thienyl)pyrrolidine-2,3-dione 4-[hydroxy-(3-methoxyphenyl)-met…

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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) 2.47 7.27 -64.95 0 6 -1 83 405.455 6 ↓
Mid Mid (pH 6-8) 2.92 -0.87 -13.57 1 6 0 79 406.463 5 ↓
Mid Mid (pH 6-8) 1.89 -1.56 -12.52 0 6 0 76 406.463 6 ↓
Lo Low (pH 4.5-6) 2.47 -1.32 -42.59 2 6 1 80 407.471 6 ↓

Activity (Go SEA)

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