| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 20 | Yes |
Popular Name: anolignan B anolignan B
2,3-bis-(4-hydroxybenzyl)-1,3-butadiene; 4,4'-(2,3-bis(methylene)-1,4-butanediyl)bisphenol
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) | 4.13 | -0.49 | -7.66 | 2 | 2 | 0 | 40 | 266.34 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-3-O | Human Immunodeficiency Virus 1 (cluster #3 Of 10), Other | Other | 7000 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 7000 | 0.36 | Functional ≤ 10μM |
