| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2007 | 21 | Yes |
Popular Name: 4-methyl-N-(2-naphthyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-2-imine 4-methyl-N-(2-naphthyl)-1,5,7,9-…
| 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) | 3.58 | 11.72 | -14.33 | 1 | 5 | 0 | 55 | 275.315 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 47 | 0.49 | Binding ≤ 10μM |
| Z50425-15-O | Plasmodium Falciparum (cluster #15 Of 22), Other | Other | 79 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96_PLAFA | Q54A96 | Dihydroorotate Dehydrogenase, Plafa | 47 | 0.49 | Binding ≤ 1μM |
| Q54A96_PLAFA | Q54A96 | Dihydroorotate Dehydrogenase, Plafa | 47 | 0.49 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 100 | 0.47 | Functional ≤ 10μM |
