| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 17 | No |
Popular Name: Butyl 3-(3,4-dihydroxyphenyl)acrylate Butyl 3-(3,4-dihydroxyphenyl)acr…
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CAS Numbers: 22020-28-6 , [22020-28-6]
| 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) | 3.00 | 4.11 | -10.63 | 2 | 4 | 0 | 67 | 236.267 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418-2-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #2 Of 9), Other | Other | 240 | 0.55 | Functional ≤ 10μM |
| Z80596-1-O | WISH (Amniotic Epithelial Cells) (cluster #1 Of 1), Other | Other | 3000 | 0.45 | Functional ≤ 10μM |
| Z80418-1-O | RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #1 Of 2), Other | Other | 7419 | 0.42 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 240 | 0.55 | Functional ≤ 10μM |
| Z80596 | Z80596 | WISH (Amniotic Epithelial Cells) | 3000 | 0.45 | Functional ≤ 10μM |
| Z80418 | Z80418 | RAW264.7 (Monocytic-macrophage Leukemia Cells) | 7419 | 0.42 | ADME/T ≤ 10μM |
