| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | No |
Popular Name: HexyltriMethylaMMoniuM BroMide HexyltriMethylaMMoniuM BroMide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2650-53-5 , [2650-53-5]
"(N-Hexyl)trimethylammonium bromide, 98%"
(1-Hexyl)trimethylammonium bromide
| 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) | -1.19 | 4.2 | -28.96 | 0 | 1 | 1 | 0 | 144.282 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 177-180? | Alfa-Aesar |
| Melting_Point | 177-180° | Alfa-Aesar |
| MP | 185 | TCI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-9-E | Acetylcholinesterase (cluster #9 Of 12), Eukaryotic | Eukaryotes | 8 | 1.13 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 8.16 | 1.13 | Binding ≤ 1μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 8.16 | 1.13 | Binding ≤ 10μM |
