| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | No |
Popular Name: Capryltrimethylammonium bromide Capryltrimethylammonium bromide
Find On: PubMed — Wikipedia — Google
CAS Number: 2083-68-3
(1-Octyl)trimethylammonium bromide
N,N,N-Trimethyl-1-octanaminium bromide; Octalone; n-Octyltrimethylammonium bromide
octyltrimethylammonium 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) | -0.18 | 10.02 | -29 | 0 | 1 | 1 | 0 | 172.336 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 220-222? | Alfa-Aesar |
| Melting_Point | 220-222° | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 5000 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 5000 | 0.62 | Functional ≤ 10μM |
