| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2009 | 8 | 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) | 1.23 | 3.82 | -31.93 | 2 | 1 | 0 | 17 | 147.268 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80548-5-O | THP-1 (Acute Monocytic Leukemia Cells) (cluster #5 Of 5), Other | Other | 6110 | 0.91 | Functional ≤ 10μM |
| Z81072-7-O | Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other | Other | 5120 | 0.93 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 5120 | 0.93 | Functional ≤ 10μM |
| Z80548 | Z80548 | THP-1 (Acute Monocytic Leukemia Cells) | 6110 | 0.91 | Functional ≤ 10μM |
