UCSF

ZINC41514504

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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-[(4-fluorophenyl)methylene]-6-hydroxy-4-methyl-benzofuran-3-o (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) 4.87 12.23 -48.03 2 4 1 55 404.461 5 ↓
Hi High (pH 8-9.5) 4.87 10.43 -40.88 0 4 -1 57 402.445 5 ↓
Mid Mid (pH 6-8) 4.87 9.87 -8.77 1 4 0 54 403.453 5 ↓
Mid Mid (pH 6-8) 4.87 12.79 -29 1 4 0 58 403.453 5 ↓

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