| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | Yes |
Popular Name: N-anthracen-2-yl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine N-anthracen-2-yl-5-methyl[1,2,4]…
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) | 4.74 | 13.97 | -15.31 | 1 | 5 | 0 | 55 | 325.375 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.96e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 56 | 0.41 | Binding ≤ 10μM |
| Z50425-15-O | Plasmodium Falciparum (cluster #15 Of 22), Other | Other | 190 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q54A96_PLAFA | Q54A96 | Dihydroorotate Dehydrogenase, Plafa | 56 | 0.41 | Binding ≤ 1μM |
| Q54A96_PLAFA | Q54A96 | Dihydroorotate Dehydrogenase, Plafa | 56 | 0.41 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 190 | 0.38 | Functional ≤ 10μM |
