| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2010 | 16 | No |
| 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) | 1.71 | 5.77 | -16.49 | 1 | 4 | 0 | 55 | 227.304 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 8.33e-01 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LASR-1-B | Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial | Bacteria | 1750 | 0.50 | Functional ≤ 10μM |
| LUXR-1-B | Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial | Bacteria | 770 | 0.53 | Functional ≤ 10μM |
| TRAR-1-B | Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial | Bacteria | 770 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LASR_PSEAE | P25084 | Transcriptional Activator Protein LasR, Pseae | 1750 | 0.50 | Functional ≤ 10μM |
| LUXR_VIBFI | P12746 | Transcriptional Activator Protein LuxR, Vibfi | 770 | 0.53 | Functional ≤ 10μM |
| TRAR_RHIRD | P33905 | Transcriptional Activator Protein TraR, Rhird | 770 | 0.53 | Functional ≤ 10μM |
