| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2007 | 17 | Yes |
Popular Name: 3-(1H-Imidazol-4-yl) 3-(1H-Imidazol-4-yl)
Find On: PubMed — Wikipedia — Google
CAS Number: 183155-85-3
3-(1H-Imidazol-4-yl); proply(4-bromophenyl)methyl ether : Maleic acid
3-(1H-imidazol-4-yl)propyl(4-bromophenyl)methyl ether, maleic acid
| 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) | 3.00 | 8.44 | -35.95 | 2 | 3 | 1 | 39 | 296.188 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | -0.77 | -35.93 | 2 | 3 | 1 | 39 | 296.188 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 7.95 | -9.41 | 1 | 3 | 0 | 38 | 295.18 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 7.93 | -9.23 | 1 | 3 | 0 | 38 | 295.18 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.74 | Binding ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 14 | 0.65 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1.25892541 | 0.73 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1.25892541 | 0.73 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 12.5892541 | 0.65 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.