| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 45 | No |
Popular Name: N,N'-bis[2-[(6-chloro-2-methoxy-acridin-9-yl)amino]ethyl]propane-1,3-diamine N,N'-bis[2-[(6-chloro-2-methoxy-…
| 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) | 7.31 | 13.48 | -254 | 8 | 8 | 4 | 104 | 647.651 | 14 | ↓ |
| Hi High (pH 8-9.5) | 7.31 | 11.73 | -90.14 | 6 | 8 | 2 | 98 | 645.635 | 14 | ↓ |
| Hi High (pH 8-9.5) | 7.31 | 11.34 | -57.31 | 5 | 8 | 1 | 97 | 644.627 | 14 | ↓ |
| Mid Mid (pH 6-8) | 7.31 | 13.09 | -193.79 | 7 | 8 | 3 | 103 | 646.643 | 14 | ↓ |
| Mid Mid (pH 6-8) | 7.31 | 12.13 | -138.2 | 7 | 8 | 3 | 99 | 646.643 | 14 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 1 | 0.28 | Functional ≤ 10μM |
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 5000 | 0.16 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 136 | 0.21 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 4), Other | Other | 120 | 0.22 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 5000 | 0.16 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 105 | 0.22 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 1.3 | 0.28 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 120 | 0.22 | ADME/T ≤ 10μM |
