| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2009 | 34 | Yes |
Popular Name: 5-chloro-2-[5-[(Z)-(dioxoBLAHylidene)methyl]-2-furyl]benzoic 5-chloro-2-[5-[(Z)-(dioxoBLAHyli…
| 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) | 5.55 | 12.38 | -65.69 | 0 | 7 | -1 | 105 | 509.972 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF-1-B | Anthrax Lethal Factor (cluster #1 Of 2), Bacterial | Bacteria | 800 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 800 | 0.25 | Binding ≤ 1μM |
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 1100 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Uptake and function of anthrax toxins |
