| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | No |
Popular Name: (4-tert-butylphenyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium (4-tert-butylphenyl)-[3-(2-chlor…
| 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) | 4.46 | 18.17 | -40.11 | 0 | 2 | 1 | 5 | 452.087 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 570 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 570 | 0.28 | Binding ≤ 1μM |
| TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 570 | 0.28 | Binding ≤ 10μM |
