| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2009 | 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) | 4.13 | 13.5 | -103.03 | 2 | 2 | 2 | 9 | 302.506 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 11.28 | -36.03 | 1 | 2 | 1 | 8 | 301.498 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.13 | 11.25 | -33.57 | 1 | 2 | 1 | 8 | 301.498 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1120 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1B_RAT | P15823 | Alpha-1b Adrenergic Receptor, Rat | 1120 | 0.38 | Binding ≤ 10μM |
