| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 13 | No |
Popular Name: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol hydrobromide 4-[2-(dimethylamino)ethyl]benzen…
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CAS Number: 50309-53-0
| 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) | 1.18 | -1.31 | -42.33 | 3 | 3 | 1 | 44 | 182.243 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115 - 117 | Enamine Building Blocks |
| MP | 115...117 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-6-O | Mus Musculus (cluster #6 Of 9), Other | Other | 10000 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 10000 | 0.54 | Functional ≤ 10μM |
