| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 29th, 2006 | 28 | Yes |
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CAS Number: 337354-66-2
| 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) | 4.64 | 10.7 | -10.06 | 2 | 5 | 0 | 82 | 428.97 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.64 | 11.15 | -46.04 | 3 | 5 | 1 | 83 | 429.978 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR-1-E | Trypanothione Reductase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9300 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYTR_TRYCR | P28593 | Trypanothione Reductase, Trycr | 9300 | 0.25 | Binding ≤ 10μM |
