| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 15 | Yes |
Popular Name: 3-imidazol-1-ylnonan-2-ol 3-imidazol-1-ylnonan-2-ol
| 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) | 2.67 | 0.19 | -5.39 | 1 | 3 | 0 | 38 | 210.321 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.48 | -31.31 | 2 | 3 | 1 | 39 | 211.329 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 700 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 700 | 0.57 | Binding ≤ 1μM |
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 1800 | 0.54 | Binding ≤ 10μM |
