| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
| 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) | 6.68 | 11.03 | -4.31 | 0 | 0 | 0 | 0 | 317.137 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AHR-1-E | Aryl Hydrocarbon Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 14 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AHR_RABIT | O02747 | Aryl Hydrocarbon Receptor, Rabit | 14 | 0.55 | Binding ≤ 1μM |
| AHR_RABIT | O02747 | Aryl Hydrocarbon Receptor, Rabit | 14 | 0.55 | Binding ≤ 10μM |
