| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 21 | Yes |
Popular Name: N-(6-chloro-2-methoxy-acridin-9-yl)ethane-1,2-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) | 3.05 | -4.51 | -93.85 | 5 | 4 | 2 | 63 | 303.793 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 280 | 0.44 | Functional ≤ 10μM |
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 7000 | 0.34 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 9300 | 0.34 | Functional ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 6000 | 0.35 | Functional ≤ 10μM |
| Z81252-10-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #10 Of 11), Other | Other | 8120 | 0.34 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 3), Other | Other | 2070 | 0.38 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 6000 | 0.35 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 7000 | 0.34 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 9300 | 0.34 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 8120 | 0.34 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 250 | 0.44 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 2070 | 0.38 | ADME/T ≤ 10μM |
