Table 2.
AD surface densities and mole fractions in the bilayer and the actual aqueous concentrations required to double the fluorescence quench rate
Estimated usingK1Estimated using cLogP
ADDADLogK1cLogP{AD}LmAD[AD]W{AD}LmAD[AD]W
μMmoles/cm2μMmoles/cm2μM
Fluoxetine 17 3.61 4.27 5.5⋅10−12 0.023 8.7 9.0⋅10−12 0.037 3.5 
Paroxetine 30 3.35 3.68 6.7⋅10−12 0.028 20 9.7⋅10−12 0.040 15 
Sertraline 31 4.51 5.18 17⋅10−12 0.068 5.4 20⋅10−12 0.078 1.6 
Amitriptyline 53 3.59 4.72 14⋅10−12 0.056 32 29⋅10−12 0.11 9.0 
Imipramine 82 3.31 3.71 14⋅10−12 0.057 61 21⋅10−12 0.084 50 
Fluvoxamine 84 2.61 3.04 5.0⋅10−12 0.021 76 9.9⋅10−12 0.041 69 
Alaproclate 220 2.43 2.58 8.0⋅10−12 0.033 210 10⋅10−12 0.042 200 
Citalopram 250 2.64 3.39 12⋅10−12 0.050 230 30⋅10−12 0.12 200 
Zimelidine 290 2.40 3.69 9.3⋅10−12 0.039 280 24⋅10−12 0.092 250 
Clomipramine 39  5.29    25⋅10−12 0.096 1.7 
Lofepramine 42  6.26    28⋅10−12 0.11 0.2 
Protriptyline 52  4.70    29⋅10−12 0.11 9.0 
Nortriptyline 61  4.76    33⋅10−12 0.13 11 
Trimipramine 72  4.98    41⋅10−12 0.15 10 
Dothiepin 83  4.65    41⋅10−12 0.15 22 
Desipramine 97  4.28    37⋅10−12 0.14 41 
Doxepin 160  4.27    50⋅10−12 0.18 85 
Estimated usingK1Estimated using cLogP
ADDADLogK1cLogP{AD}LmAD[AD]W{AD}LmAD[AD]W
μMmoles/cm2μMmoles/cm2μM
Fluoxetine 17 3.61 4.27 5.5⋅10−12 0.023 8.7 9.0⋅10−12 0.037 3.5 
Paroxetine 30 3.35 3.68 6.7⋅10−12 0.028 20 9.7⋅10−12 0.040 15 
Sertraline 31 4.51 5.18 17⋅10−12 0.068 5.4 20⋅10−12 0.078 1.6 
Amitriptyline 53 3.59 4.72 14⋅10−12 0.056 32 29⋅10−12 0.11 9.0 
Imipramine 82 3.31 3.71 14⋅10−12 0.057 61 21⋅10−12 0.084 50 
Fluvoxamine 84 2.61 3.04 5.0⋅10−12 0.021 76 9.9⋅10−12 0.041 69 
Alaproclate 220 2.43 2.58 8.0⋅10−12 0.033 210 10⋅10−12 0.042 200 
Citalopram 250 2.64 3.39 12⋅10−12 0.050 230 30⋅10−12 0.12 200 
Zimelidine 290 2.40 3.69 9.3⋅10−12 0.039 280 24⋅10−12 0.092 250 
Clomipramine 39  5.29    25⋅10−12 0.096 1.7 
Lofepramine 42  6.26    28⋅10−12 0.11 0.2 
Protriptyline 52  4.70    29⋅10−12 0.11 9.0 
Nortriptyline 61  4.76    33⋅10−12 0.13 11 
Trimipramine 72  4.98    41⋅10−12 0.15 10 
Dothiepin 83  4.65    41⋅10−12 0.15 22 
Desipramine 97  4.28    37⋅10−12 0.14 41 
Doxepin 160  4.27    50⋅10−12 0.18 85 

{AD}L, mAD and [AD]W were calculated from Eqs. S29–S31 using either the experimental (⁠K2=K1⋅d0/2⁠) or estimated (⁠K2'=10cLogP⋅d0/2⁠) adsorption coefficients, where cLogP is the consensus value from the ACD/Percepta PhysChem Suite. VW = 1.5 ml, 〈Lipid〉T = 37.3 μmol, aL= 0.7 nm2, d0 (the DC22:1PC bilayer phosphate to phosphate thickness, 4.5 nm; Lewis and Engelman, 1983), and aD = 0.3 nm2.

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