| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 30 | Yes |
Popular Name: (2-butylbenzofuran-3-yl)-[4-(2-diethylaminoethoxy)-3-iodo-phenyl]methanone (2-butylbenzofuran-3-yl)-[4-(2-d…
| 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) | 7.35 | 15.83 | -42.12 | 1 | 4 | 1 | 44 | 520.431 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1-1-E | Trace Amine-associated Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 33 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1_RAT | Q923Y9 | Trace Amine-associated Receptor1, Rat | 33 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (s) signalling events |
