| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 22 | No |
| 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) | 3.95 | 9.34 | -6.67 | 0 | 2 | 0 | 20 | 289.378 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-10-O | L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other | Other | 8770 | 0.32 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 3320 | 0.35 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 8770 | 0.32 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 3320 | 0.35 | ADME/T ≤ 10μM |
