| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | Yes |
Popular Name: 1-(4-fluorophenyl)-4-[3-(1H-imidazol-4-yl)propoxy]butan-1-one 1-(4-fluorophenyl)-4-[3-(1H-imid…
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) | 2.45 | 9.27 | -41.29 | 2 | 4 | 1 | 56 | 291.346 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 9.22 | -40.81 | 2 | 4 | 1 | 56 | 291.346 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 8.78 | -15.75 | 1 | 4 | 0 | 55 | 290.338 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.45 | 8.76 | -15.25 | 1 | 4 | 0 | 55 | 290.338 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0760811A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 14 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 14 | 0.52 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 14 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
