| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2009 | 23 | Yes |
Popular Name: 5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]benzene-1,3-diol 5-[(1R)-1-hydroxy-2-[[(1R)-2-(4-…
| 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) | 2.07 | 0.85 | -46.22 | 5 | 5 | 1 | 87 | 318.393 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 1.64 | -62.49 | 4 | 5 | 0 | 89 | 317.385 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 470 | 0.39 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 186 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 0.3 | 0.58 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 0.3 | 0.58 | Binding ≤ 10μM |
| ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 186 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
