| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 19 | 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) | 3.85 | -1.28 | -11.06 | 2 | 5 | 0 | 70 | 281.791 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | -1.08 | -33.29 | 3 | 5 | 1 | 71 | 282.799 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.85 | -7.15 | -30.07 | 3 | 5 | 1 | 71 | 282.799 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 320 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 320 | 0.48 | Binding ≤ 1μM |
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 320 | 0.48 | Binding ≤ 10μM |
