From the lab
Solubility before you go into the lab
How well does the compound dissolve, and how does it behave at physiological pH? The answer decides the next experiments.
How CovaSyn solved it
CovaChem and CovaSolv deliver lipophilicity, polar surface, pKa and solubility in one pass, including a note where the model reaches its limits.
Limit according to the tool: The molecule lies outside the solubility model's domain. The tool reports this itself.
Tools: CovaChem, CovaSolv
The values
| logP (consensus) | 3.76 |
|---|---|
| TPSA | 60.1 Ų |
| pKa (basic) | 8.6, cationic at pH 7.4 |
| log S in water | -4.7, about 9 µg/mL |