| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2009 | 13 | Yes |
None
| 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) | 2.29 | 5.24 | -49.22 | 3 | 1 | 1 | 28 | 176.283 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-1-E | Alpha-1a Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.54 | Functional ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A_RABIT | O02824 | Alpha-1a Adrenergic Receptor, Rabit | 10000 | 0.54 | Functional ≤ 10μM |
| ADA1D_RABIT | O02666 | Alpha-1d Adrenergic Receptor, Rabit | 10000 | 0.54 | Functional ≤ 10μM |
