| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 31 | No |
Popular Name: 1-(3-diethylamino-2-hydroxy-propyl)amino-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione 1-(3-diethylamino-2-hydroxy-prop…
| 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) | 3.26 | -4.29 | -47.23 | 4 | 7 | 1 | 95 | 424.521 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 40 | 0.33 | Functional ≤ 10μM |
| Z80433-1-O | RPMI-8226 (Multiple Myeloma Cells) (cluster #1 Of 3), Other | Other | 9 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 20 | 0.35 | Functional ≤ 10μM |
| Z80433 | Z80433 | RPMI-8226 (Multiple Myeloma Cells) | 10 | 0.36 | Functional ≤ 10μM |
