| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 17 | No |
Popular Name: 3-aminopropyl-(4-tert-butylphenyl)-dimethyl-ammonium 3-aminopropyl-(4-tert-butylpheny…
| 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) | -1.16 | 8.22 | -102.66 | 3 | 2 | 2 | 28 | 236.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | 7.85 | -28.69 | 2 | 2 | 1 | 26 | 235.395 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 150 | 0.56 | Binding ≤ 1μM |
| TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 150 | 0.56 | Binding ≤ 10μM |
