| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 20 | Yes |
Popular Name: EHNA (hydrochloride) EHNA (hydrochloride)
Find On: PubMed — Wikipedia — Google
CAS Number: 58337-38-5
| 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) | 2.97 | -3.06 | -10.06 | 3 | 6 | 0 | 89 | 277.372 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.37 | -2.87 | -34.17 | 4 | 6 | 1 | 91 | 278.38 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA-1-E | Adenosine Deaminase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.61 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA_HUMAN | P00813 | Adenosine Deaminase, Human | 122 | 0.48 | Binding ≤ 1μM |
| ADA_HUMAN | P00813 | Adenosine Deaminase, Human | 122 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine salvage |
