| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 19 | Yes |
Popular Name: (2S)-1-(isopropylamino)-3-(7-methylindan-4-yl)oxy-propan-2-ol (2S)-1-(isopropylamino)-3-(7-met…
| 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) | 2.60 | 5.94 | -45.11 | 3 | 3 | 1 | 46 | 264.389 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 4.54 | -6.61 | 2 | 3 | 0 | 41 | 263.381 | 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 | 186 | 0.50 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 186 | 0.50 | Binding ≤ 1μM |
| ADRB2_BOVIN | Q28044 | Beta-2 Adrenergic Receptor, Bovin | 17.6 | 0.57 | Binding ≤ 1μM |
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 186 | 0.50 | Binding ≤ 10μM |
| ADRB2_BOVIN | Q28044 | Beta-2 Adrenergic Receptor, Bovin | 17.6 | 0.57 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
