Compounds

K_i (μM)

Docking K_i (μM)

Docking E_i (kcal/mol)

Benzalkonium chloride

2.36

8.89

−4.16

2-Hydroxy-5-nitrobenzyl bromide

0.42

2.85

−8.14

N-bromosuccinimide

0.07

0.93

−15.41

Sodium acetate

0.48

2.29

−8.62

p-chloromercuribenzoate

0.20

1.61

−9.54

p-hydroxymercuribenzoic acid

0.16

1.46

−10.69

2-Mercaptoethanol

0.02

0.49

−12.64

Diethyl pyrocarbonate

0.03

0.67

−13.05

Ethyl acetimidate

1.40

8.07

−5.03

EDTA

1.92

8.67

−5.69

Glucosamine

0.32

2.11

−8.14

Triton X-100

0.09

1.05

−14.48

Cysteine

1.82

8.51

−5.54

Tween 20

0.07

0.97

−14.01

guanidinium hydrochloride

0.38

2.74

−7.64

Tween 80

0.06

0.89

−13.80

Monoiodoacetate

0.91

5.72

−6.08