Table 1.

Experimental and calculated thermodynamic and kinetic parameters for GSH probes 1-X^a

	experiments				calculations
X	K d b	k f c	k r d	ΔGe	ΔG1e	ΔG2e	ΔG3e
H	0.42	0.052	4.7	−4.7	−4.9	−2.6	−35.5
F	0.51	0.10	11.5	−4.6	−4.4	−3.1	−34.4
Br	1.35	0.15	35.7	−4.0	−4.8	−3.2	−34.4
NO2	1.43	0.18	46.6	−3.9	−4.0	−5.0	−34.1
OH	0.25	1.29	6050	−5.0	−4.7	−6.0	−30.0

^aK_d, k_f and k_r are the dissociation equilibrium constant, the second-order forward reaction rate constant, and the first-order reverse reaction rate constant of reaction 1 in Scheme 1, respectively.

^bUnits are in mM.

^cUnits are in M⁻¹s⁻¹.

^dUnits are in 10⁻⁶ s⁻¹.

^eUnits are in kcal·mol⁻¹. Refer to Scheme S3 in the SI for definitions of ΔG₁, ΔG₂ and ΔG₃.