| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 14 | No |
Popular Name: 3-(3,4,5-trihydroxyphenyl)acrylic acid 3-(3,4,5-trihydroxyphenyl)acryli…
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CAS Number: 6093-59-0
| 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) | 0.65 | -4.1 | -53.04 | 3 | 5 | -1 | 100 | 195.15 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50185-2-O | Staphylococcus Aureus (cluster #2 Of 4), Other | Other | 1260 | 0.59 | Functional ≤ 10μM |
| Z50186-1-O | Staphylococcus Epidermidis (cluster #1 Of 2), Other | Other | 630 | 0.62 | Functional ≤ 10μM |
| Z50594-8-O | Mus Musculus (cluster #8 Of 9), Other | Other | 180 | 0.67 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50594 | Z50594 | Mus Musculus | 180 | 0.67 | Functional ≤ 10μM |
| Z50185 | Z50185 | Staphylococcus Aureus | 1260 | 0.59 | Functional ≤ 10μM |
| Z50186 | Z50186 | Staphylococcus Epidermidis | 630 | 0.62 | Functional ≤ 10μM |
