| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2009 | 38 | No |
Popular Name: 2-[2-[2-(dioxoBLAHyl)ethylamino]ethylamino]ethylBLAHdione 2-[2-[2-(dioxoBLAHyl)ethylamino]…
None
| 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) | 2.67 | 10.36 | -47.82 | 3 | 8 | 1 | 107 | 507.57 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 8.96 | -22.3 | 2 | 8 | 0 | 102 | 506.562 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | 11.77 | -120.55 | 4 | 8 | 2 | 111 | 508.578 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 600 | 0.23 | Functional ≤ 10μM |
| Z81034-3-O | A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other | Other | 280 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 1000 | 0.22 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 350 | 0.24 | Functional ≤ 10μM |
