| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2009 | 30 | No |
Popular Name: 2-dimethylaminoethyl-(2-dimethylaminoethylamino)BLAHdione 2-dimethylaminoethyl-(2-dimethyl…
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) | 3.04 | 11.79 | -89.53 | 3 | 6 | 2 | 60 | 406.53 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 9.26 | -63.24 | 2 | 6 | 1 | 59 | 405.522 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.04 | 6.73 | -14.05 | 1 | 6 | 0 | 58 | 404.514 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 524 | 0.29 | Functional ≤ 10μM |
| Z80354-1-O | OVCAR-3 (Ovarian Adenocarcinoma Cells) (cluster #1 Of 4), Other | Other | 2883 | 0.26 | Functional ≤ 10μM |
| Z81261-1-O | UACC-375 (cluster #1 Of 1), Other | Other | 839 | 0.28 | Functional ≤ 10μM |
| Z81341-1-O | Tumor Cell Lines (cluster #1 Of 1), Other | Other | 1861 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 524 | 0.29 | Functional ≤ 10μM |
| Z80354 | Z80354 | OVCAR-3 (Ovarian Adenocarcinoma Cells) | 2883 | 0.26 | Functional ≤ 10μM |
| Z81341 | Z81341 | Tumor Cell Lines | 1861 | 0.27 | Functional ≤ 10μM |
| Z81261 | Z81261 | UACC-375 | 839 | 0.28 | Functional ≤ 10μM |
