| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 3rd, 2006 | 22 | Yes |
Popular Name: (Z)-2-methoxy-5-(2-(7-methoxy-benzo[d][1,3]dioxol-5-yl)vinyl)phenol (Z)-2-methoxy-5-(2-(7-methoxy-be…
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CAS Number: 111394-44-6
| 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) | 3.51 | -0.32 | -12.31 | 1 | 5 | 0 | 57 | 300.31 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101973-1-O | Paracentrotus Lividus (cluster #1 Of 1), Other | Other | 50 | 0.46 | Functional ≤ 10μM |
| Z100495-1-O | BMEC (Brain Microvessel Endothelial Cells) (cluster #1 Of 1), Other | Other | 48 | 0.47 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z101973 | Z101973 | Paracentrotus Lividus | 10 | 0.51 | Functional ≤ 10μM |
| Z100495 | Z100495 | BMEC (Brain Microvessel Endothelial Cells) | 48 | 0.47 | ADME/T ≤ 10μM |
