| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 16 | No |
Popular Name: LS-125196 LS-125196
| 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) | 1.70 | 7.73 | -54.13 | 1 | 5 | 1 | 67 | 223.252 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 340 | 0.57 | Binding ≤ 10μM |
| Z50418-5-O | Trypanosoma Brucei (cluster #5 Of 6), Other | Other | 680 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYBB | P39051 | Trypanothione Reductase, Trybb | 340 | 0.57 | Binding ≤ 1μM |
| TYTR_TRYBB | P39051 | Trypanothione Reductase, Trybb | 340 | 0.57 | Binding ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 680 | 0.54 | Functional ≤ 10μM |
