| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: (2S)-2-[4-(benzyl-ethyl-amino)butyl]-5,6-dimethoxy-indan-1-one (2S)-2-[4-(benzyl-ethyl-amino)bu…
| 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) | 4.30 | 13.26 | -41.8 | 1 | 4 | 1 | 40 | 382.524 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 76 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 76 | 0.36 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 76 | 0.36 | Binding ≤ 10μM |
