| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2007 | 22 | 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) | 3.03 | 5.85 | -17.12 | 1 | 5 | 0 | 64 | 296.326 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.49 | 3.82 | -58.55 | 0 | 5 | -1 | 67 | 295.318 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3700 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1D_RAT | P23944 | Alpha-1d Adrenergic Receptor, Rat | 3700 | 0.35 | Functional ≤ 10μM |
