| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 24 | Yes |
Popular Name: (1S)-3-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)propan-1-ol (1S)-3-(4-methoxyphenyl)-1-(3,4,…
| 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) | 3.14 | 5.84 | -11.77 | 1 | 5 | 0 | 57 | 332.396 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 4000 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4000 | 0.31 | Functional ≤ 10μM |
