| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | No |
Popular Name: bromide bromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15008-33-0 , 3479-10-5
(5-Bromo-pentyl)-trimethyl-ammonium
(5-Bromopentyl)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) | -1.85 | 3.15 | -31.71 | 0 | 1 | 1 | 0 | 209.151 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-9-E | Acetylcholinesterase (cluster #9 Of 12), Eukaryotic | Eukaryotes | 5 | 1.16 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 5.34 | 1.16 | Binding ≤ 1μM |
| ACES_TORCA | P04058 | Acetylcholinesterase, Torca | 5.34 | 1.16 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.