| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 30 | Yes |
Popular Name: N'-(4-pyridyl)-N-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine N'-(4-pyridyl)-N-(1,2,3,4-tetrah…
| 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) | 6.18 | 12.41 | -60.04 | 4 | 4 | 2 | 52 | 404.602 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-2-E | Acetylcholinesterase (cluster #2 Of 12), Eukaryotic | Eukaryotes | 14 | 0.37 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 157 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 13.6 | 0.37 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 13.6 | 0.37 | Binding ≤ 1μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 157 | 0.32 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 13.6 | 0.37 | Binding ≤ 10μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 13.6 | 0.37 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 157 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
