UCSF

ZINC41514583

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 30 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(3-bromophenyl)methylene]-6-hydroxy-4-methyl-benzofuran-3-on (2Z)-7-[[benzyl(methyl)amino]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) 5.49 12.8 -50.24 2 4 1 55 465.367 5 ↓
Hi High (pH 8-9.5) 5.49 11.01 -39.33 0 4 -1 57 463.351 5 ↓
Mid Mid (pH 6-8) 5.49 13.36 -30.63 1 4 0 58 464.359 5 ↓
Mid Mid (pH 6-8) 5.49 10.44 -7.92 1 4 0 54 464.359 5 ↓

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