| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 23 | Yes |
Popular Name: 4-[3-[(S)-(4-fluorophenyl)-phenyl-methoxy]propyl]-1H-imidazole 4-[3-[(S)-(4-fluorophenyl)-pheny…
| 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) | 3.94 | 11.74 | -37.04 | 2 | 3 | 1 | 39 | 311.38 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 11.26 | -11.61 | 1 | 3 | 0 | 38 | 310.372 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 11.25 | -10.06 | 1 | 3 | 0 | 38 | 310.372 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0760811A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 25 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 25.1188643 | 0.46 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
