| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 35 | Yes |
Popular Name: N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]heptane-1,7-diamine N,N'-bis[3-[(4-methylsulfanylphe…
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) | 5.01 | 14.63 | -179.14 | 7 | 4 | 3 | 62 | 519.889 | 22 | ↓ |
| Mid Mid (pH 6-8) | 5.01 | 15.99 | -270.95 | 8 | 4 | 4 | 66 | 520.897 | 22 | ↓ |
| Mid Mid (pH 6-8) | 5.01 | 13.27 | -95.11 | 6 | 4 | 2 | 57 | 518.881 | 22 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3000 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 3000 | 0.22 | Functional ≤ 10μM |
