| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 22 | Yes |
Popular Name: (2S,4R,5R)-1,2,5-trimethyl-4-[2-(1-naphthyl)ethynyl]piperidin-1-ium-4-ol (2S,4R,5R)-1,2,5-trimethyl-4-[2-…
| 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) | 3.96 | 9.46 | -36.65 | 2 | 2 | 1 | 25 | 294.418 | 0 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 7.16 | -6.49 | 1 | 2 | 0 | 23 | 293.41 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 11 | 0.51 | Functional ≤ 10μM |
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 41 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_MOUSE | P58406 | Histamine H3 Receptor, Mouse | 280 | 0.42 | Functional ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 11 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
