UCSF

ZINC09179142

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 32 No

Popular Name: 5-(3,4-dimethoxyphenyl)-4-(hydroxy-phenyl-methylene)-1-(3-pyridylmethyl)pyrrolidine-2,3-dione 5-(3,4-dimethoxyphenyl)-4-(hydro…

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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) 2.19 8.14 -63.85 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.63 0.36 -20.95 1 7 0 88 430.46 6 ↓
Mid Mid (pH 6-8) 1.60 -0.09 -13.52 0 7 0 85 430.46 7 ↓
Lo Low (pH 4.5-6) 2.63 8.2 -47.95 2 7 1 90 431.468 6 ↓
Lo Low (pH 4.5-6) 1.60 0.04 -45.41 1 7 1 87 431.468 7 ↓

Activity (Go SEA)

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