UCSF

ZINC41514594

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(4-tert-butylphenyl)methylene]-6-hydroxy-4-methyl-benzofuran (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) 6.41 14.48 -46.93 2 4 1 55 442.579 6 ↓
Hi High (pH 8-9.5) 6.41 12.68 -42.03 0 4 -1 57 440.563 6 ↓
Mid Mid (pH 6-8) 6.41 12.12 -8.33 1 4 0 54 441.571 6 ↓
Mid Mid (pH 6-8) 6.41 15.04 -28.44 1 4 0 58 441.571 6 ↓

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