| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 19 | Yes |
Popular Name: 2-amino-7-(cycloheptylmethyl)-3,5-dihydropyrrolo[2,3-e]pyrimidin-4-one 2-amino-7-(cycloheptylmethyl)-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) | 2.70 | 5.7 | -10.97 | 4 | 5 | 0 | 88 | 260.341 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 3.58 | -51.94 | 3 | 5 | -1 | 91 | 259.333 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 860 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 30 | 0.55 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 30 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
