| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 21 | Yes |
| 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) | 1.97 | 2.78 | -16.33 | 4 | 7 | 0 | 110 | 293.371 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 3.24 | -37.71 | 5 | 7 | 1 | 111 | 294.379 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 56 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 56 | 0.48 | Binding ≤ 1μM |
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 56 | 0.48 | Binding ≤ 10μM |
