| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2010 | 26 | Yes |
Popular Name: 5-[(2R,3S)-3-hydroxy-2-methyl-3-(3,4,5-trimethoxyphenyl)propyl]-2-methoxy-phenol 5-[(2R,3S)-3-hydroxy-2-methyl-3-…
| 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) | 2.65 | 4.13 | -13.68 | 2 | 6 | 0 | 77 | 362.422 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 600 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 600 | 0.34 | Functional ≤ 10μM |
