| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 27th, 2006 | 19 | Yes |
(Z)-3-(4'-Bromophenyl)-3-(3''-pyridyl)dimethylallylamine
(Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-amine dihydrochloride
(Z)-3-(4-Bromophenyl)-N,N-dimethyl-3-(pyridin-3-yl)prop-2-en-1-aminedihydrochloride
(Z)-3-[1-(p-Bromophenyl)-3-(dimethylamino)propenyl]pyridine
3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine; 60525-15-7; nsc305352
| 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) | 3.37 | 10.2 | -41.9 | 1 | 2 | 1 | 17 | 318.238 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 7.55 | -4.86 | 0 | 2 | 0 | 16 | 317.23 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.39e-02 g/l | DrugBank-withdrawn |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-6-O | Mus Musculus (cluster #6 Of 9), Other | Other | 6100 | 0.38 | Functional ≤ 10μM |
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 220 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 6100 | 0.38 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 150 | 0.50 | Functional ≤ 10μM |
