| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 25 | Yes |
Popular Name: ethylBLAHdione ethylBLAHdione
| 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) | 1.96 | 9.15 | -12.96 | 0 | 5 | 0 | 61 | 332.359 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.96 | 9.4 | -45.2 | 1 | 5 | 1 | 62 | 333.367 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0325247A1; EP0325247B1; EP0686158A1; EP0686158B1; EP0925301A1; US5061800; US5352789; US5391745; US5446047; US5525731; US5527913; US5541327; US5608066; US5910491; US6028078; US6107486; US6156897; WO1994019353A1; WO1998007727A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 590 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 590 | 0.35 | Functional ≤ 10μM |
