| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 22 | No |
Popular Name: (E)-3-(4-pyridyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (E)-3-(4-pyridyl)-1-(2,4,6-trime…
| 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) | 2.55 | 5.63 | -12.31 | 0 | 5 | 0 | 58 | 299.326 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 5.91 | -41.96 | 1 | 5 | 1 | 59 | 300.334 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 592 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 592 | 0.40 | Functional ≤ 10μM |
