Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.
Compound
| ID: | 149 | |
|---|---|---|
| Name: | Clonidine | |
| Description: | Alternative name from original table: (SKB6) | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| 0.11 |
experimental value |
| -0.079 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -0.0851 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022846 | US EPA CompTox Dashboard |