| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 23 | Yes |
Popular Name: 4-[(2S)-2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]phenol 4-[(2S)-2-[[(2S)-2-hydroxy-3-(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) | 2.31 | 1.23 | -48.68 | 5 | 5 | 1 | 87 | 318.393 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 81 | 0.43 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 84 | 0.43 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 81 | 0.43 | Binding ≤ 1μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 84 | 0.43 | Binding ≤ 1μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 81 | 0.43 | Binding ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 84 | 0.43 | Binding ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 25 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
