UCSF

ZINC41514542

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 No

Popular Name: (2Z)-7-[[benzyl(methyl)amino]methyl]-6-hydroxy-4-methyl-2-[(3-nitrophenyl)methylene]benzofuran-3-one (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) 4.64 12.49 -59.32 2 7 1 101 431.468 6 ↓
Hi High (pH 8-9.5) 4.64 10.94 -41.72 0 7 -1 102 429.452 6 ↓
Mid Mid (pH 6-8) 4.64 10.17 -10.71 1 7 0 100 430.46 6 ↓
Mid Mid (pH 6-8) 4.64 13.25 -38.24 1 7 0 104 430.46 6 ↓

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