| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2009 | 19 | 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) | 4.01 | 7.09 | -12 | 1 | 3 | 0 | 46 | 270.719 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.47 | 5.17 | -56.6 | 0 | 3 | -1 | 49 | 269.711 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1900 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 1900 | 0.42 | Functional ≤ 10μM |
