| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2009 | 32 | No |
Popular Name: 3-dimethylamino-N-[4-(3-dimethylaminopropanoylamino)-9,10-dioxo-1-anthryl]propanamide 3-dimethylamino-N-[4-(3-dimethyl…
| 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) | 2.53 | 10.25 | -90.01 | 4 | 8 | 2 | 101 | 438.528 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80493-1-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other | Other | 360 | 0.28 | Functional ≤ 10μM |
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 40 | 0.32 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 16 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 16 | 0.34 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 40 | 0.32 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 360 | 0.28 | Functional ≤ 10μM |
