| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 29 | Yes |
2-[[4-(2,2,3,3,4,4,4-heptafluorobutoxy)pyridin-2-yl]methylsulfinyl]-1H-thieno[3,4-d]imidazole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.34 | -0.33 | -14.8 | 1 | 5 | 0 | 67 | 461.384 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 4.69 | -51.2 | 0 | 5 | -1 | 66 | 460.376 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | -0.26 | -52.11 | 2 | 5 | 1 | 69 | 462.392 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592-1-O | Oryctolagus Cuniculus (cluster #1 Of 8), Other | Other | 1300 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1300 | 0.28 | Functional ≤ 10μM |
