Table 2 Median values of physicochemical properties and charge class distribution
From: Are the physicochemical properties of antibacterial compounds really different from other drugs?
Set label | Median values | Charge classes | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
MWt | LogD | LogP | HBA | HBD | Rot bonds | Rings | TPSA | Acidic | Basic | Neutral | Zwitter | |
AA | 385 | 2.8 | 3.2 | 6 | 2 | 5 | 3 | 81 | 1046 | 1746 | 5968 | 1743 |
AI | 339 | 2.3 | 3.0 | 5 | 2 | 4 | 3 | 67 | 30 | 32 | 254 | 24 |
BA | 358 | 1.7 | 2.2 | 6 | 2 | 4 | 3 | 92 | 546 | 290 | 1364 | 270 |
BI | 321 | 1.7 | 1.9 | 6 | 2 | 4 | 3 | 80 | 59 | 58 | 253 | 29 |
BAAA | 391 | 2.3 | 2.9 | 6 | 2 | 5 | 3 | 94 | 97 | 66 | 335 | 57 |
BAAI | 346 | 1.4 | 1.7 | 6 | 2 | 4 | 3 | 93 | 441 | 209 | 988 | 197 |
MAD | 389 | −1.2 | −0.7 | 8 | 3 | 4 | 3 | 117 | 37 | 27 | 23 | 29 |
MOD | 316 | 1.1 | 1.8 | 5 | 2 | 4 | 3 | 69 | 195 | 425 | 495 | 110 |