| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 30 | Yes |
Popular Name: N'-acridin-9-yl-N-(3-diethylaminopropyl)benzene-1,4-diamine N'-acridin-9-yl-N-(3-diethylamin…
| 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) | 6.60 | 13.08 | -70.25 | 4 | 4 | 2 | 43 | 400.57 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50460-4-O | Leishmania Major (cluster #4 Of 4), Other | Other | 200 | 0.31 | Functional ≤ 10μM |
| Z81072-6-O | Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other | Other | 1300 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1300 | 0.27 | Functional ≤ 10μM |
| Z50460 | Z50460 | Leishmania Major | 200 | 0.31 | Functional ≤ 10μM |
