| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 26 | 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) | 5.67 | -0.01 | -57.05 | 1 | 4 | -1 | 72 | 340.358 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYAA-1-B | Calmodulin-sensitive Adenylate Cyclase (cluster #1 Of 1), Bacterial | Bacteria | 9000 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CYAA_BACAN | P40136 | Calmodulin-sensitive Adenylate Cyclase, Bacan | 8498 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Uptake and function of anthrax toxins |
