| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2004 | 23 | Yes |
Popular Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]hexanamide N-[3-chloro-4-(4-ethylpiperazin-…
| 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) | 4.54 | 10.6 | -41.57 | 2 | 4 | 1 | 37 | 338.903 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.54 | 8.39 | -9.28 | 1 | 4 | 0 | 36 | 337.895 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 490 | 0.38 | Functional ≤ 10μM |
| ACM4-2-E | Muscarinic Acetylcholine Receptor M4 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5100 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 490 | 0.38 | Functional ≤ 10μM |
| ACM4_RAT | P08485 | Muscarinic Acetylcholine Receptor M4, Rat | 5100 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
