| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 27 | No |
Popular Name: 3-[(4,6-dianilino-1,3,5-triazin-2-yl)aminoimino]propane-1,2-diol 3-[(4,6-dianilino-1,3,5-triazin-…
| 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) | 2.67 | 9.13 | -12.02 | 5 | 9 | 0 | 128 | 365.397 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 3300 | 0.28 | Functional ≤ 10μM |
| Z50459-5-O | Leishmania Donovani (cluster #5 Of 8), Other | Other | 1900 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 1900 | 0.30 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2500 | 0.29 | Functional ≤ 10μM |
