| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 17 | Yes |
Popular Name: 2-amino-7-(cyclopentylmethyl)-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one 2-amino-7-(cyclopentylmethyl)-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) | 1.69 | 4.78 | -11.25 | 4 | 5 | 0 | 88 | 232.287 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 2.63 | -52.7 | 3 | 5 | -1 | 91 | 231.279 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 29 | 0.62 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 20.2 | 0.63 | Binding ≤ 1μM |
| PNPH_RAT | P85973 | Purine-nucleoside Phosphorylase, Rat | 29 | 0.62 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 1800 | 0.47 | Binding ≤ 10μM |
| PNPH_RAT | P85973 | Purine-nucleoside Phosphorylase, Rat | 29 | 0.62 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
