| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 23 | Yes |
Popular Name: N-(6-chloro-2-methoxy-acridin-9-yl)butane-1,4-diamine N-(6-chloro-2-methoxy-acridin-9-…
| 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) | 3.59 | 6.01 | -83.45 | 5 | 4 | 2 | 63 | 331.847 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 5.64 | -51.72 | 4 | 4 | 1 | 62 | 330.839 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 300 | 0.40 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 3), Other | Other | 600 | 0.38 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 250 | 0.40 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 600 | 0.38 | ADME/T ≤ 10μM |
