UCSF

ZINC41514651

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 No

Popular Name: 7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-isopropylidene-benzofuran-3-one 7-[[benzyl(methyl)amino]methyl]-…

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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) 3.56 8.81 -44.36 2 4 1 55 324.4 4 ↓
Hi High (pH 8-9.5) 3.56 7.24 -43.22 0 4 -1 57 322.384 4 ↓
Mid Mid (pH 6-8) 3.56 6.47 -7.95 1 4 0 54 323.392 4 ↓
Mid Mid (pH 6-8) 3.56 9.57 -30.69 1 4 0 58 323.392 4 ↓

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