Physicochemical properties of probe BAY-549 and control BAY-4900
| BAY-549 | |
|---|---|
| Binding efficiency index (BEI) | 25.0 |
| TPSA | 102 Å2 |
| log D (pH 7.5) | 2.3 |
| Ligand-lipophilicity efficiency (LLE), (calc, ROCK-2 (h)) | 8.6 |
| BAY-4900 | |
|---|---|
| TPSA | 91 Å2 |
| log D (pH 7.5) | 3.0 |
Solubility
| BAY-549: |
water pH 6.5: 0.5 mg/L,
water pH 2: 1.8 mg/L,
water pH 4: 0.8 mg/L,
water pH 8: 0.3 mg/L,
water pH 10: 0.2 mg/L,
PEG400: > 30 mg/L,
PEG400 / water (80/20): 120 mg/L,
Solutol / Ethanol/ water (40/10/50): 240 mg/L,
0.1 M HCl: 247 mg/L,
Acetone: 6331 mg/L
|
| BAY-4900: |
water pH 6.5: 0.57 mg/L
|