Table 2 The chemical informatics analyses of zanamvir, quercetin and chlorogenic acid.

From: Computational screen and experimental validation of anti-influenza effects of quercetin and chlorogenic acid from traditional Chinese medicine

Molecules

MW

LogP

tPSA

Rotatable bonds

HB donors

HB acceptors

Oral Bioavailability (VEBER)

Oral Bioavailability (EGAN)

Zanamvir

333.32

−2.98

202.79

7

9

11

  

Quercetin

302.24

2.17

134.2

1

5

7

Good

Good

Chlorogenic acid

354.31

−0.42

167.6

5

5

9

Good

Good