| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 11 | Yes |
2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine
Cyclopropaneethanamine, 2-(1H-imidazol-4-yl)-, (1S,2S)- (9CI)
| 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) | -0.18 | 2.91 | -44.94 | 4 | 3 | 1 | 56 | 152.221 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 3.38 | -93.48 | 5 | 3 | 2 | 58 | 153.229 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.18 | 2.89 | -45.18 | 4 | 3 | 1 | 56 | 152.221 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10 | 1.02 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1.31 | 1.13 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.3 | 1.13 | Binding ≤ 1μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 1.3 | 1.13 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1.31 | 1.13 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
