Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Mol. Pharmaceutics 2008, 5, 266-279.
Compound
| ID: | et15 | |
|---|---|---|
| Name: | pteridine | |
| Description: | InChI codes were generated with JChem for Excel | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H |
Properties
logS0: Intrinsic aqueous solubility as logS0 [mol/L]
| Value | Source or prediction |
|---|---|
| 0.02 |
Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Molecular Pharmaceutics 2008, 5, 266-279. http://dx.doi.org/10.1021/mp7000878 |
| -0.34 |
Eq8: Model for drugs or drug precursors (External validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60238347 | US EPA CompTox Dashboard |