| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 20 | Yes |
Popular Name: N-[(3S)-2-oxotetrahydrofuran-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide N-[(3S)-2-oxotetrahydrofuran-3-y…
| 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) | 0.93 | 5.86 | -18.47 | 1 | 4 | 0 | 55 | 287.237 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXS-1-B | Transcriptional Activator Protein LuxR (cluster #1 Of 1), Bacterial | Bacteria | 1400 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXS_VIBF1 | P35327 | Transcriptional Activator Protein LuxR, Vibf1 | 1400 | 0.41 | Functional ≤ 10μM |
