| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 26 | Yes |
Popular Name: 2-allyl-4-[(E)-2-(3-allyl-4-hydroxy-phenyl)-1-ethyl-but-1-enyl]phenol 2-allyl-4-[(E)-2-(3-allyl-4-hydr…
| 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) | 6.74 | 1.25 | -4.83 | 2 | 2 | 0 | 40 | 348.486 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 9500 | 0.27 | Functional ≤ 10μM |
| Z80583-1-O | Vero (Kidney Cells) (cluster #1 Of 3), Other | Other | 3700 | 0.29 | ADME/T ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 4), Other | Other | 3400 | 0.29 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 9500 | 0.27 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 3400 | 0.29 | ADME/T ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 3700 | 0.29 | ADME/T ≤ 10μM |
