Table 1.

Calculated and measured medicinal chemical parameters of dracocephins A and B compared to those of naringenin.

Compound	pKa	log P	log D7.4/log D6.5	TPSA	PAMPA-BBB (Pe × 10–6 cm/s)
(±)-1	6.91 ± 0.06 9.20 ± 0.08 11.85 ± 0.06	3.39 ± 0.01	2.80/3.25	86.99	8.8 ± 0.6 (medium)
2a–d	6.69 ± 0.01 9.47 ± 0.03 12.34 ± 0.18	2.52 ± 0.02	1.74/2.31	116.1	1.1 ± 0.1 (poorly permeable)
3a–d	6.54 ± 0.00 9.54 ± 0.00 11.97 ± 0.02	2.39 ± 0.02	1.51/2.12	116.1	non-permeable