| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 18 | Yes |
Popular Name: 1-[(1S)-1-(1-hydroxyethyl)heptyl]imidazole-4-carboxamide 1-[(1S)-1-(1-hydroxyethyl)heptyl…
| 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) | 1.72 | -2.31 | -9.11 | 3 | 5 | 0 | 81 | 253.346 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.72 | -2 | -40.81 | 4 | 5 | 1 | 82 | 254.354 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 35 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 35 | 0.58 | Binding ≤ 1μM |
| ADA_BOVIN | P56658 | Adenosine Deaminase, Bovin | 35 | 0.58 | Binding ≤ 10μM |
