| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 28 | Yes |
Popular Name: (2-butylbenzofuran-3-yl)-[4-[2-(ethylamino)ethoxy]-3-iodo-phenyl]methanone (2-butylbenzofuran-3-yl)-[4-[2-(…
| 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) | 6.38 | 13.09 | -47.69 | 2 | 4 | 1 | 56 | 492.377 | 10 | ↓ |
| Hi High (pH 8-9.5) | 6.38 | 11.74 | -8.64 | 1 | 4 | 0 | 51 | 491.369 | 10 | ↓ |
| 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 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TAAR1_RAT | Q923Y9 | Trace Amine-associated Receptor1, Rat | 33 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amine ligand-binding receptors | |
| G alpha (s) signalling events |
