| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 25 | Yes |
Popular Name: 7-[(2S)-3-(ethylamino)-2-hydroxy-propoxy]-2-phenyl-chromen-4-one 7-[(2S)-3-(ethylamino)-2-hydroxy…
| 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) | 2.94 | 6.44 | -47.81 | 3 | 5 | 1 | 76 | 340.399 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 5.03 | -10.29 | 2 | 5 | 0 | 72 | 339.391 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.29 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.29 | Binding ≤ 10μM |
| ADRB3-2-E | Beta-3 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7500 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 7500 | 0.29 | Binding ≤ 10μM |
| ADRB2_RAT | P10608 | Beta-2 Adrenergic Receptor, Rat | 7500 | 0.29 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 7500 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
