| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 20 | Yes |
Popular Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-(2-hydroxyethyl)ammonium (3,5-ditert-butyl-4-hydroxy-benz…
| 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) | 3.91 | -1.51 | -38.79 | 4 | 3 | 1 | 57 | 280.432 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.40 | Binding ≤ 10μM |
| Z50418-5-O | Trypanosoma Brucei (cluster #5 Of 6), Other | Other | 3010 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYBB | P39051 | Trypanothione Reductase, Trybb | 2000 | 0.40 | Binding ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 3010 | 0.39 | Functional ≤ 10μM |
