ID: | Tab1_49 | |
---|---|---|
Name: | methane | |
Description: | ||
Labels: | ||
CAS: | ||
InChi Code: | InChI=1S/CH4/h1H4 |
logBB: The ratio of brain−blood partitioning as logBB
Value | Source or prediction |
---|---|
0.04 |
Lombardo, F.; Blake, J. F.; Curatolo, W. J. Computation of Brain−Blood Partitioning of Organic Solutes via Free Energy Calculations. J. Med. Chem. 1996, 39, 4750–4755. https://doi.org/10.1021/jm960163r |
0.31 |
Eq.6: Model with PSA and ClogP (DEC-I) (Training set) |
0.32 |
Eq.7: Model with PSA and MlogP (DEC-II) (Training set) |
Link | Resource description |
---|---|
DTXSID8025545 | US EPA CompTox Dashboard |