| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 18 | Yes |
Popular Name: 3-(3-bromophenyl)-N-[(3S)-2-oxotetrahydrofuran-3-yl]propanamide 3-(3-bromophenyl)-N-[(3S)-2-oxot…
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| 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) | 1.36 | 6.28 | -16.93 | 1 | 4 | 0 | 55 | 312.163 | 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 | 530 | 0.49 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXS_VIBF1 | P35327 | Transcriptional Activator Protein LuxR, Vibf1 | 530 | 0.49 | Functional ≤ 10μM |
