| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 17 | Yes |
Popular Name: 2-(4-iodophenyl)-N-[(3S)-2-oxotetrahydrofuran-3-yl]acetamide 2-(4-iodophenyl)-N-[(3S)-2-oxote…
| 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) | 1.14 | 5.97 | -18.18 | 1 | 4 | 0 | 55 | 345.136 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LASR-1-B | Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial | Bacteria | 1720 | 0.47 | Functional ≤ 10μM |
| LUXR-1-B | Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial | Bacteria | 860 | 0.50 | Functional ≤ 10μM |
| LUXS-1-B | Transcriptional Activator Protein LuxR (cluster #1 Of 1), Bacterial | Bacteria | 860 | 0.50 | Functional ≤ 10μM |
| TRAR-1-B | Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial | Bacteria | 1250 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LASR_PSEAE | P25084 | Transcriptional Activator Protein LasR, Pseae | 1720 | 0.47 | Functional ≤ 10μM |
| LUXR_VIBFI | P12746 | Transcriptional Activator Protein LuxR, Vibfi | 860 | 0.50 | Functional ≤ 10μM |
| LUXS_VIBF1 | P35327 | Transcriptional Activator Protein LuxR, Vibf1 | 860 | 0.50 | Functional ≤ 10μM |
| TRAR_RHIRD | P33905 | Transcriptional Activator Protein TraR, Rhird | 1250 | 0.49 | Functional ≤ 10μM |
