| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2008 | 30 | Yes |
Popular Name: BRD-A56418171-001-01-5 BRD-A56418171-001-01-5
| 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) | 2.80 | 4.57 | -15.69 | 2 | 7 | 0 | 97 | 447.582 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXN-1-B | Autoinducer 1 Sensor Kinase/phosphatase LuxN (cluster #1 Of 1), Bacterial | Bacteria | 2900 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LUXN_VIBHA | P0C5S6 | Autoinducer 1 Sensor Kinase/phosphatase LuxN, Vibha | 2900 | 0.26 | Binding ≤ 10μM |
