| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 34 | Yes |
Popular Name: (2-dimethylaminoethylamino)methyl-ethyl-dihydroxy-BLAHdione (2-dimethylaminoethylamino)methy…
| 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) | 1.81 | 3.41 | -69.69 | 4 | 9 | 1 | 122 | 465.53 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 4.04 | -39.99 | 3 | 9 | 0 | 124 | 464.522 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.86 | -145.05 | 5 | 9 | 2 | 123 | 466.538 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 4.52 | -55.44 | 4 | 9 | 1 | 118 | 465.53 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 5.14 | -56.78 | 3 | 9 | 0 | 121 | 464.522 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 49 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 49 | 0.30 | Functional ≤ 10μM |
