| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 25th, 2009 | 18 | Yes |
Popular Name: (2S,3S)-3-(3,4-dichlorophenoxy)-1-(isopropylamino)butan-2-ol (2S,3S)-3-(3,4-dichlorophenoxy)-…
| 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) | 3.46 | 4.91 | -39.82 | 3 | 3 | 1 | 46 | 293.214 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.49 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.49 | Binding ≤ 10μM |
| ADRB3-2-E | Beta-3 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 500 | 0.49 | Binding ≤ 1μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 500 | 0.49 | Binding ≤ 1μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 500 | 0.49 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 500 | 0.49 | Binding ≤ 10μM |
| ADRB2_CANFA | P54833 | Beta-2 Adrenergic Receptor, Canine | 500 | 0.49 | Binding ≤ 10μM |
| ADRB3_RAT | P26255 | Beta-3 Adrenergic Receptor, Rat | 500 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
