UCSF

ZINC17992953

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

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

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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) 2.58 7.96 -69.22 0 7 -1 92 429.452 7 ↓
Mid Mid (pH 6-8) 2.00 9.04 -13.09 0 7 0 86 430.46 7 ↓
Mid Mid (pH 6-8) 2.58 8.66 -15.52 1 7 0 89 430.46 7 ↓
Lo Low (pH 4.5-6) 2.58 8.93 -43.18 2 7 1 90 431.468 7 ↓
Lo Low (pH 4.5-6) 2.00 9.32 -44.75 1 7 1 87 431.468 7 ↓

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