| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 29 | No |
None
| 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) | 1.23 | 4.92 | -12.13 | 4 | 10 | 0 | 133 | 420.495 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-2-O | Trypanosoma Brucei Brucei (cluster #2 Of 7), Other | Other | 3000 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 3000 | 0.27 | Functional ≤ 10μM |
![3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole](http://zinc12.docking.org/img/rings/20426.gif)
![9-[4-[(cyclopent-2-en-1-ylthio)methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]purine](http://zinc12.docking.org/img/rings/516261.gif)
