| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2006 | 25 | Yes |
Popular Name: 5-bromo-2-methoxy-N-[4-(1-piperidylmethyl)phenyl]-benzamide 5-bromo-2-methoxy-N-[4-(1-piperi…
| 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) | 4.88 | 0.56 | -40.98 | 2 | 4 | 1 | 42 | 404.328 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-5-E | Acetylcholinesterase (cluster #5 Of 12), Eukaryotic | Eukaryotes | 1000 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 1000 | 0.34 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 1000 | 0.34 | Binding ≤ 10μM |
