| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 29 | 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) | 0.48 | 11.56 | -113.81 | 0 | 8 | -2 | 124 | 484.583 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF-1-B | Anthrax Lethal Factor (cluster #1 Of 2), Bacterial | Bacteria | 1600 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 1600 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Uptake and function of anthrax toxins |
![5-[[5-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-thienyl]methylene]-2-thioxo-thiazolidin-4-one](http://zinc12.docking.org/img/rings/223961.gif)
