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Linear Formula:
(C2H4O)n · C15H24O, n~1.5
CAS Number:
UNSPSC Code:
12162002
PubChem Substance ID:
MDL number:
mol wt
average Mn ~308
refractive index
n20/D 1.508 (lit.)
density
0.96 g/mL at 25 °C (lit.)
HLB
4
SMILES string
CCCCCCCCCc1ccc(OCCOCCO)cc1
Gene Information
rat ... Ar(24208)
Legal Information
IGEPAL is a registered trademark of Solvay
Regulatory Information
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Markus A Lill et al.
Journal of medicinal chemistry, 48(18), 5666-5674 (2005-09-02)
We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular dynamics simulations, and linear-interaction energy analysis, we simulated the