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. 2021 Feb 19;4(2):888–897. doi: 10.1021/acsptsci.1c00021

Table 1. Physicochemical and Druglike Properties of FR and YM.

  FR YM
exact mass (Da) 1001.53 959.49
heavy atoma count 71 68
number of defined stereocenters 11 11
specific rotationb ([α]D20) –54.8 –64.5
rotatable bond count 15 13
polar surface area 285 Å2 285 Å2
calculated logP valuec 1.86 1.37
number of hydrogen bond donors 5 5
number of hydrogen bond acceptors 22 22
solubility in phosphate-buffered saline containing 1% dimethyl sulfoxide (DMSO)d 189 ± 17 μM 88 ± 12 μM
plasma protein binding 35% 79%
residence time of tritiated derivative at human platelet membranese at 37 °C 92.1 min 3.8 min
at 21 °C 343.3 min 13.4 min
a

Non-hydrogen atoms

b

Synthetic compounds, measured in methanol, c (FR) 0.073 g/mL, c (YM) 0.11 g/mL.24

c

Calculated logP values were obtained using the StarDrop program.

d

Values represent means ± SD (n = 3).

e

Reference (27).