| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 24 | Yes |
Popular Name: 1-[4-(3-piperidin-1-ium-1-ylpropoxy)benzyl]piperidin-1-ium-4-ol 1-[4-(3-piperidin-1-ium-1-ylprop…
| 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) | 2.03 | -1.33 | -82.92 | 3 | 4 | 2 | 38 | 334.504 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 2300 | 0.33 | Binding ≤ 10μM |
| HRH3-2-E | Histamine H3 Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.72 | 0.53 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 2300 | 0.33 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 0.72 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
