| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 22 | No |
Popular Name: (3S)-1-(4-diethylaminobut-2-ynyl)-3-phenyl-pyrrolidine-2,5-dione (3S)-1-(4-diethylaminobut-2-ynyl…
| 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) | 2.56 | 10.31 | -38.06 | 1 | 4 | 1 | 42 | 299.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.87 | -10.89 | 0 | 4 | 0 | 41 | 298.386 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 7.87 | -10.4 | 0 | 4 | 0 | 41 | 298.386 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-2-E | Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 2300 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2300 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
