UCSF

ZINC41514548

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-2-[(2,6-dichlorophenyl)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) 5.96 13.05 -43.84 2 4 1 55 455.361 5 ↓
Hi High (pH 8-9.5) 5.96 11.24 -42.16 0 4 -1 57 453.345 5 ↓
Mid Mid (pH 6-8) 5.96 10.69 -9.32 1 4 0 54 454.353 5 ↓
Mid Mid (pH 6-8) 5.96 13.61 -27.72 1 4 0 58 454.353 5 ↓

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