| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 22 | Yes |
Popular Name: 7-(2-adamantylmethyl)-2-amino-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one 7-(2-adamantylmethyl)-2-amino-3,…
| 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) | 3.06 | 6.99 | -10.51 | 4 | 5 | 0 | 88 | 298.39 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 4.75 | -52.54 | 3 | 5 | -1 | 91 | 297.382 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 90 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 90 | 0.45 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 2500 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
