| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2007 | 31 | Yes |
Popular Name: N-[3-(3,5-dimethyl-1-piperidyl)propyl]-2-(ethyl-methyl-oxo-BLAHyl)-acetamide N-[3-(3,5-dimethyl-1-piperidyl)p…
| 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) | 3.09 | -0.08 | -50.17 | 2 | 7 | 1 | 72 | 444.625 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 2000 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 2000 | 0.26 | Binding ≤ 10μM |
