| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 22 | No |
Popular Name: 2-[(2-amino-2-carboxy-ethyl)sulfanylmethyl]-5-phenyl-furan-3-carboxylic 2-[(2-amino-2-carboxy-ethyl)sulf…
| 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) | -0.24 | 7.85 | -67.26 | 3 | 6 | -1 | 121 | 320.346 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.24 | 7.53 | -104.33 | 2 | 6 | -2 | 119 | 319.338 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF-2-B | Anthrax Lethal Factor (cluster #2 Of 2), Bacterial | Bacteria | 4100 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 2900 | 0.35 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Uptake and function of anthrax toxins |
