| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | 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) | 2.85 | 10.09 | -45.02 | 3 | 10 | 1 | 133 | 410.476 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 160 | 0.34 | Binding ≤ 10μM |
| ACM1-5-E | Muscarinic Acetylcholine Receptor M1 (cluster #5 Of 5), Eukaryotic | Eukaryotes | 430 | 0.32 | Binding ≤ 10μM |
| ACM2-4-E | Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 3100 | 0.28 | Binding ≤ 10μM |
| CHLE-3-E | Butyrylcholinesterase (cluster #3 Of 7), Eukaryotic | Eukaryotes | 3300 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 160 | 0.34 | Binding ≤ 1μM |
| ACM1_MOUSE | P12657 | Muscarinic Acetylcholine Receptor M1, Mouse | 430 | 0.32 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 160 | 0.34 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 3300 | 0.27 | Binding ≤ 10μM |
| ACM1_MOUSE | P12657 | Muscarinic Acetylcholine Receptor M1, Mouse | 430 | 0.32 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 3100 | 0.28 | 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 |
