| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 27 | Yes |
| 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) | 3.52 | 10.07 | -53.33 | 2 | 5 | 1 | 63 | 360.437 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 7.53 | -22.73 | 1 | 5 | 0 | 62 | 359.429 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 6600 | 0.27 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 1420 | 0.30 | Functional ≤ 10μM |
| Z81164-1-O | LL Cell Line (cluster #1 Of 2), Other | Other | 1790 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1420 | 0.30 | Functional ≤ 10μM |
| Z81164 | Z81164 | LL Cell Line | 1790 | 0.30 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 6600 | 0.27 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
