| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 17 | Yes |
Popular Name: 3-dimethylamino-1-(4-methylsulfonylphenyl)-propan-1-one 3-dimethylamino-1-(4-methylsulfo…
| 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) | 0.63 | -1.36 | -51.18 | 1 | 4 | 1 | 55 | 256.347 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.46 | Binding ≤ 10μM |
| Z50418-5-O | Trypanosoma Brucei (cluster #5 Of 6), Other | Other | 550 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYBB | P39051 | Trypanothione Reductase, Trybb | 2900 | 0.46 | Binding ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 550 | 0.52 | Functional ≤ 10μM |
