| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 11 | No |
Popular Name: 3-Aminophenyltrimethylammonium iodide; Ammonium, (m-aminophenyl)trimethyl-, iodide; LS-16709 3-Aminophenyltrimethylammonium i…
None
| 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) | -2.89 | 1.71 | -28.3 | 2 | 2 | 1 | 26 | 151.233 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-5-E | Acetylcholinesterase (cluster #5 Of 12), Eukaryotic | Eukaryotes | 2 | 1.11 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 1.92 | 1.11 | Binding ≤ 1μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 1.92 | 1.11 | Binding ≤ 10μM |
