| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 42 | No |
Popular Name: N,N'-bis(6-chloro-2-methoxy-acridin-9-yl)hexane-1,6-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) | 9.00 | 15.26 | -64.13 | 4 | 6 | 2 | 71 | 601.578 | 11 | ↓ |
| Hi High (pH 8-9.5) | 9.00 | 14.52 | -14.03 | 2 | 6 | 0 | 68 | 599.562 | 11 | ↓ |
| Mid Mid (pH 6-8) | 9.00 | 14.88 | -35.66 | 3 | 6 | 1 | 70 | 600.57 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 4550 | 0.18 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 3), Other | Other | 50 | 0.24 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1110 | 0.20 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 50 | 0.24 | ADME/T ≤ 10μM |
