| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 27 | No |
None
| 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) | 2.47 | 0.02 | -44.91 | 4 | 10 | 1 | 147 | 396.449 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 83 | 0.37 | Binding ≤ 10μM |
| ACM1-5-E | Muscarinic Acetylcholine Receptor M1 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 3800 | 0.28 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 9500 | 0.26 | Binding ≤ 10μM |
| CHLE-3-E | Butyrylcholinesterase (cluster #3 Of 7), Eukaryotic | Eukaryotes | 2400 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 83 | 0.37 | Binding ≤ 1μM |
| ACM2_MOUSE | Q9ERZ4 | Muscarinic Acetylcholine Receptor M2, Mouse | 460 | 0.33 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 83 | 0.37 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 2400 | 0.29 | Binding ≤ 10μM |
| ACM1_MOUSE | P12657 | Muscarinic Acetylcholine Receptor M1, Mouse | 3800 | 0.28 | Binding ≤ 10μM |
| ACM2_MOUSE | Q9ERZ4 | Muscarinic Acetylcholine Receptor M2, Mouse | 460 | 0.33 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 6800 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors | |
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
