| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2006 | 30 | 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) | 2.79 | -1.58 | -46.01 | 2 | 8 | 1 | 88 | 408.434 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188-1-O | KB 3-1 (Cervical Epithelial Carcinoma Cells) (cluster #1 Of 2), Other | Other | 22 | 0.36 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80799-1-O | RPMI 8402 (Pre-T-lymphoblastoid Cells) (cluster #1 Of 1), Other | Other | 250 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80188 | Z80188 | KB 3-1 (Cervical Epithelial Carcinoma Cells) | 0.4 | 0.44 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 0.3 | 0.44 | Functional ≤ 10μM |
| Z80799 | Z80799 | RPMI 8402 (Pre-T-lymphoblastoid Cells) | 0.3 | 0.44 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.