| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 27 | No |
Popular Name: 2-[2-(1-benzyl-4-piperidyl)ethyl]-4H-isoquinoline-1,3-dione 2-[2-(1-benzyl-4-piperidyl)ethyl…
| 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) | 2.87 | 1.66 | -39.95 | 1 | 4 | 1 | 41 | 363.481 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-5-E | Acetylcholinesterase (cluster #5 Of 12), Eukaryotic | Eukaryotes | 23 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 23 | 0.40 | Binding ≤ 1μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 23 | 0.40 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 23 | 0.40 | Binding ≤ 10μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 23 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
