| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2006 | 31 | 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) | 3.83 | 3.01 | -19.61 | 0 | 9 | 0 | 129 | 419.393 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | DUB | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 5730 | 0.24 | Functional ≤ 10μM |
| Z80362-7-O | P388 (Lymphoma Cells) (cluster #7 Of 8), Other | Other | 50 | 0.33 | Functional ≤ 10μM |
| Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 7), Other | Other | 260 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 260 | 0.30 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2770 | 0.25 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 50 | 0.33 | Functional ≤ 10μM |
