| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 20 | Yes |
Popular Name: 3-[(E)-2-(4-hydroxy-2-methoxy-phenyl)vinyl]-5-methoxy-phenol 3-[(E)-2-(4-hydroxy-2-methoxy-ph…
None
| 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) | 3.33 | 2.3 | -9.07 | 2 | 4 | 0 | 59 | 272.3 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115-2-O | KB (Squamous Cell Carcinoma) (cluster #2 Of 3), Other | Other | 5500 | 0.37 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 5500 | 0.37 | ADME/T ≤ 10μM |
