| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 22 | No |
Popular Name: hydroxy-methyl-BLAHdione hydroxy-methyl-BLAHdione
| 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) | 1.28 | -2.43 | -11.75 | 1 | 4 | 0 | 66 | 302.37 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 201 - 203 | MolMall (formerly Molecular Diversity Preservation International) |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-4-O | K562 (Erythroleukemia Cells) (cluster #4 Of 11), Other | Other | 6220 | 0.33 | Functional ≤ 10μM |
| Z81247-3-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #3 Of 9), Other | Other | 5730 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 5730 | 0.33 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 6220 | 0.33 | Functional ≤ 10μM |
