| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 36 | Yes |
Popular Name: N,N'-bis[3-[(4-methylsulfanylphenyl)methylamino]propyl]octane-1,8-diamine N,N'-bis[3-[(4-methylsulfanylphe…
| 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) | 5.52 | 15.41 | -176.94 | 7 | 4 | 3 | 62 | 533.916 | 23 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 14.06 | -93.49 | 6 | 4 | 2 | 57 | 532.908 | 23 | ↓ |
| Mid Mid (pH 6-8) | 5.52 | 16.77 | -267.73 | 8 | 4 | 4 | 66 | 534.924 | 23 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 600 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 600 | 0.24 | Functional ≤ 10μM |
