| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 31 | Yes |
Popular Name: N,N'-bis[3-(cyclohexylmethylamino)propyl]heptane-1,7-diamine N,N'-bis[3-(cyclohexylmethylamin…
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) | 5.23 | 14.59 | -258.61 | 8 | 4 | 4 | 66 | 440.805 | 20 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 13.13 | -173.71 | 7 | 4 | 3 | 62 | 439.797 | 20 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 13.12 | -169.47 | 7 | 4 | 3 | 62 | 439.797 | 20 | ↓ |
| Hi High (pH 8-9.5) | 5.23 | 11.71 | -88.67 | 6 | 4 | 2 | 57 | 438.789 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 1800 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1800 | 0.26 | Functional ≤ 10μM |
