Table Info

Table 1.

Computed physicochemical properties of Hz-A and Hz-B

Products	Hz-A	Hz-B
Molecular weight	268.3	314.3
Dipole moment (D)	2.9	2.8
Total solvent accessible surface area (SASA; Å²)^*	525.3	552.2
Hydrophobic SASA	290.3	247.5
Hydrophilic SASA	224.8	294.5
Molecular volume (Å³)	911.0	978.2
H-bond donor	2	4
H-bonds acceptor	5	7
log P (octanol/water)	1.9	1.8
log S (aqueous solubility)	–2.9	–2.7

^* SASA calculated with a radius probe of 1.4 Å. Drug properties were calculated with the Biochemical and Organic Simulation System (BOSS) 4.9 software. Partition coefficient (log P)

Declarations

Author contributions

GV: Visualization, Software, Data curation. CB: Conceptualization, Investigation, Visualization, Writing—original draft, Writing—review & editing.

Conflicts of interest

The authors declare that they have no conflicts of interest.

Ethical approval

Not applicable.

Consent to participate

Not applicable.

Consent to publication

Not applicable.

Availability of data and materials

All relevant data is contained within the manuscript.

Funding

Not applicable.

Copyright

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