| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 13 | No |
Popular Name: Nonyltrimethylammonium bromide, 96% Nonyltrimethylammonium bromide, 96%
Find On: PubMed — Wikipedia — Google
CAS Number: 1943-11-9
| 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) | 0.33 | 10.79 | -29.02 | 0 | 1 | 1 | 0 | 186.363 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 223 - 226 | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 1600 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1600 | 0.62 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.