| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 32 | Yes |
Popular Name: CN1c2ccc(cc2C(=N[C@H](C1=O)Cc3ccc4ccccc4c3)c5ccc(cc5)O)Cl CN1c2ccc(cc2C(=N[C@H](C1=O)Cc3cc…
| 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) | 5.23 | 10.38 | -11.37 | 1 | 4 | 0 | 53 | 440.93 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80415-1-O | Ramos (Burkitts Lymhoma B-cells) (cluster #1 Of 1), Other | Other | 7300 | 0.22 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 6000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 10000 | 0.22 | Functional ≤ 10μM |
| Z80415 | Z80415 | Ramos (Burkitts Lymhoma B-cells) | 6300 | 0.23 | Functional ≤ 10μM |
