Properties

DHA

ThT

MW (molecular weight)

330.50

283.41

LogP (octanol-water partition coefficient)

5.84

4.66

LogSw (oral bioavailability scores based on solubility in water)

−4.64

−4.67

tPSA (topological polar surface area, Ų)

40.46

31.78

Number of rotatable bonds

14

2

Number of rigid bonds

6

16

Flexibility

0.70

0.11

Hydrogen Bond Donor (HBD)

2

0

Hydrogen Bond Acceptor (HBA)

2

2

Number of heavy atoms

24

20

Number of carbon atoms

22

17

Number of heteroatoms

2

3

^*Number of lipinski violations

1

0

Solubility

3178.13

2665.28