| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 34 | Yes |
None
| 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) | 4.70 | 12.93 | -49.36 | 2 | 6 | 1 | 63 | 475.638 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.70 | 10.21 | -9.77 | 1 | 6 | 0 | 62 | 474.63 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 150 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
![Thieno[2,3-d]pyrimidine](http://zinc12.docking.org/img/rings/1609.gif)
![3-phenoxypropyl-[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-4-piperidyl]amine](http://zinc12.docking.org/img/rings/366246.gif)
