| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 13 | No |
Popular Name: 3-(2,4-Dihydroxyphenyl)acrylic acid 3-(2,4-Dihydroxyphenyl)acrylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 614-86-8 , [614-86-8]
| 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) | 1.17 | -0.27 | -52.25 | 2 | 4 | -1 | 81 | 179.151 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.59e+00 g/l | DrugBank-experimental |
| Purity | 97% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594-8-O | Mus Musculus (cluster #8 Of 9), Other | Other | 210 | 0.72 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 210 | 0.72 | Functional ≤ 10μM |
