| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 38 | Yes |
Popular Name: N-[2-(dibutylamino)ethyl]-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide N-[2-(dibutylamino)ethyl]-4-pent…
| 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) | 8.86 | 21.23 | -52.49 | 1 | 3 | 1 | 25 | 513.79 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2-1-E | Plasmepsin 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 143 | 0.25 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2442 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 143 | 0.25 | Binding ≤ 1μM |
| PLM2_PLAFA | P46925 | Plasmepsin 2, Plafa | 143 | 0.25 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2442 | 0.21 | Functional ≤ 10μM |
