| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 16 | Yes |
Popular Name: 4-[(1S,2S)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazol-3-ium 4-[(1S,2S)-2-(5,5-dimethylhex-1-…
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| 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) | 3.59 | 10.08 | -35.57 | 2 | 2 | 1 | 30 | 217.336 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 9.61 | -9.25 | 1 | 2 | 0 | 29 | 216.328 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.76 | Binding ≤ 10μM |
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 3.98107171 | 0.73 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 5.3 | 0.72 | Binding ≤ 1μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 5.3 | 0.72 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 3.98107171 | 0.73 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
