| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 46 | No |
Popular Name: N,N'-bis(6-chloro-2-methoxy-acridin-9-yl)decane-1,10-diamine N,N'-bis(6-chloro-2-methoxy-acri…
| 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) | 9.56 | 18.79 | -58.14 | 4 | 6 | 2 | 71 | 657.686 | 15 | ↓ |
| Hi High (pH 8-9.5) | 9.56 | 18.01 | -12.43 | 2 | 6 | 0 | 68 | 655.67 | 15 | ↓ |
| Mid Mid (pH 6-8) | 9.56 | 18.41 | -31.76 | 3 | 6 | 1 | 70 | 656.678 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50420-1-O | Trypanosoma Brucei Brucei (cluster #1 Of 7), Other | Other | 25 | 0.23 | Functional ≤ 10μM |
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 500 | 0.19 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 95 | 0.21 | Functional ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 4), Other | Other | 3140 | 0.17 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 500 | 0.19 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 116 | 0.21 | Functional ≤ 10μM |
| Z50420 | Z50420 | Trypanosoma Brucei Brucei | 25 | 0.23 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 3140 | 0.17 | ADME/T ≤ 10μM |
