| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 17 | Yes |
Popular Name: 6,6-dimethyl-1-(p-tolyl)-1,3,5-triazinane-2,4-diimine 6,6-dimethyl-1-(p-tolyl)-1,3,5-t…
| 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) | 0.67 | 7.23 | -23.03 | 5 | 5 | 1 | 82 | 232.311 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 6.89 | -11.94 | 4 | 5 | 0 | 78 | 231.303 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS-3-E | Bifunctional Dihydrofolate Reductase-thymidylate Synthase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1584 | 0.48 | Binding ≤ 10μM |
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 65 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 1.6 | 0.72 | Binding ≤ 1μM |
| DRTS_PLAFK | P13922 | Dihydrofolate Reductase, Plafk | 1.6 | 0.72 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3617 | 0.45 | Functional ≤ 10μM |
