| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 17 | No |
Popular Name: 4-[(E)-oct-1-enyl]benzoic 4-[(E)-oct-1-enyl]benzoic
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) | 5.77 | 9.95 | -50.66 | 0 | 2 | -1 | 40 | 231.315 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5013476 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPXC-1-B | UDP-3-O-acyl-GlcNAc Deacetylase (cluster #1 Of 2), Bacterial | Bacteria | 6200 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPXC_AQUAE | O67648 | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine Deacetylase, Aquae | 6200 | 0.43 | Binding ≤ 10μM |
