Skip to main content
. 2020 Aug 20;40(8):1072–1080. [Article in Chinese] doi: 10.12122/j.issn.1673-4254.2020.08.02

2.

TJQW组方小分子、筛选后的活性成分以及阳性药物部分描述符比较

Partial molecular descriptors' Comparison of TJQW molecules, screened bioactive ingredients and positive drugs

Factor Minimum Maximum Mean Median Mode Standard Deviation
AlogP -4.88/-3.81/2.30 26.65/14.09/5.66 2.99/4.05/4.05 2.77/3.30/4.35 8.08/8.08/2.30 3.09/2.76/1.41
HBA 0/0/1 32/17/11 3.95/4.93/6.14 2/5/7 1/6/7 4.47/3.13/3.18
HBD 0/0/1 19/8/5 1.98/1.97/3.14 1/1.5/4 0/1/4 2.70/1.66/1.46
MW 0/242.27/319.87 1399.52/722.69/720.94 300.25/373.72/568.29 256.42/369.88/602.58 204.35/414.71/319.87 174.13/84.75/126.03
PSA 0/0/28.16 512.2/246.32/213.88 71.62/80.19/141.56 50.44/79.9/148.8 0/20.23/28.16 71.75/46.59/64.64
RB 0/0/8 59/19/18 5.00/4.71/13.14 3/4/13 1/1/8 5.76/4.16/3.87