In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 26 | No |
Popular Name: CC(=O)N1[C@H]([C@@H]2CCc3ccc(cc3C2=N1)OC)c4ccc(cc4)OC CC(=O)N1[C@H]([C@@H]2CCc3ccc(cc3…
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) | 3.62 | 1.53 | -11.71 | 0 | 5 | 0 | 51 | 350.418 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 6400 | 0.28 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 6400 | 0.28 | Functional ≤ 10μM |