| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 9 | Yes |
Popular Name: 4-(But-3-yn-1-yl)-1H-imidazole 4-(But-3-yn-1-yl)-1H-imidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 223419-76-9 , [223419-76-9]
| 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) | 0.78 | 5.23 | -34.75 | 2 | 2 | 1 | 30 | 121.163 | 2 | ↓ |
| Ref Reference (pH 7) | 0.78 | 5.25 | -34.78 | 2 | 2 | 1 | 30 | 121.163 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 4.74 | -6.82 | 1 | 2 | 0 | 29 | 120.155 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 4.77 | -7.26 | 1 | 2 | 0 | 29 | 120.155 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 66 | 1.12 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 66.3 | 1.12 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 66.3 | 1.12 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.
