| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 19 | No |
Popular Name: (2S)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzo[g]benzofuran-4,5-quinone (2S)-2-(1-hydroxy-1-methyl-ethyl…
| 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) | 1.79 | 5.39 | -11.93 | 1 | 4 | 0 | 64 | 258.273 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-4-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #4 Of 4), Other | Other | 1970 | 0.42 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 1970 | 0.42 | ADME/T ≤ 10μM |
