| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2008 | 31 | Yes |
Popular Name: 6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzyl-4-piperidyl)ethyl]pyridazin-3-amine 6-(1,3-benzodioxol-5-yl)-N-[2-(1…
| 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) | 4.82 | 11.92 | -94.87 | 3 | 6 | 2 | 62 | 418.541 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.82 | 11.86 | -89.85 | 3 | 6 | 2 | 62 | 418.541 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 73 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 73 | 0.32 | Binding ≤ 1μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 73 | 0.32 | Binding ≤ 10μM |
