Compound | ClogP | Connolly Accessible Area | Dipole | Charge | ||||
---|---|---|---|---|---|---|---|---|
α-Carbon | Carbonyl C | Carbonyl O 2-a | Nitrogen | |||||
Å 2 | Debye | |||||||
Droxidopa | −1.573 | 357.98 | 8.586 | −0.3317 | 0.4412 | −0.49942-b | −0.5432 | −0.2635 |
l-Dopa | −0.4986 | 355.09 | 9.862 | −0.2904 | 0.4440 | −0.4701 | −0.5633 | −0.2709 |
Carbidopa2-c | −0.4448 | 383.65 | 3.239 | −0.0055 | 0.3553 | −0.3811 | −0.3924 | −0.3351 |
α-Methyldopa | −0.1896 | 372.95 | 9.697 | −0.1990 | 0.4492 | −0.4697 | −0.5558 | −0.2707 |
3-O-Methyldopa | −0.0524 | 394.53 | 10.645 | −0.2883 | 0.4429 | −0.4682 | −0.5625 | −0.2734 |
Tyrosine | 0.0984 | 348.38 | 10.882 | −0.2872 | 0.4420 | −0.4691 | −0.5635 | −0.2742 |
Dopamine | 0.2090 | 320.01 | 19.645 | −0.2552 | −0.2918 | |||
α-Methyltyrosine | 0.4074 | 365.89 | 10.936 | −0.1952 | 0.4473 | −0.4704 | −0.5579 | −0.2711 |
Phenylalanine | 0.7654 | 340.89 | 11.225 | −0.2853 | 0.4417 | −0.4700 | −0.5628 | −0.2755 |
Tyramine | 0.8060 | 312.90 | 17.222 | −0.2551 | −0.2918 | |||
Phenylalanine methyl ester | 1.006 | 385.02 | 7.209 | −0.1536 | 0.3349 | −0.2805 | −0.3608 | −0.2780 |
α-Methyl phenylalanine | 1.074 | 358.13 | 10.749 | −0.1951 | 0.4482 | −0.4707 | −0.5572 | −0.2715 |
N-Methyl phenylalanine | 1.521 | 369.57 | 11.510 | −0.2807 | 0.4396 | −0.4744 | −0.5620 | −0.2206 |
Gabapentin | 1.642 | 336.33 | 10.446 | −0.3378 | 0.3653 | −0.5996 | −0.5948 | −0.3139 |
Melphalan | 2.114 | 506.75 | 11.286 | −0.2908 | 0.4430 | −0.4719 | −0.5653 | −0.2696 |
3,3′,5′-Triiodothyronine | 5.672 | 580.63 | 10.120 | −0.2949 | 0.4461 | −0.4664 | −0.5545 | −0.2775 |
Thyroxine | 6.795 | 621.19 | 8.883 | −0.3003 | 0.4466 | −0.4645 | −0.5534 | −0.2752 |
The compounds are ordered according to calculated logP (ClogP).