| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 26 | No |
Popular Name: 3-[[4-anilino-6-(1-piperidyl)-1,3,5-triazin-2-yl]aminoimino]propane-1,2-diol 3-[[4-anilino-6-(1-piperidyl)-1,…
| 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) | 2.22 | -8.09 | -12.01 | 4 | 9 | 0 | 118 | 357.418 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 5300 | 0.28 | Functional ≤ 10μM |
| Z50459-5-O | Leishmania Donovani (cluster #5 Of 8), Other | Other | 3600 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50459 | Z50459 | Leishmania Donovani | 3600 | 0.29 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 4800 | 0.29 | Functional ≤ 10μM |
