| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2008 | 23 | Yes |
Popular Name: (3S)-3-(2-amino-4-oxo-3,5-dihydropyrrolo[4,5-d]pyrimidin-7-yl)-3-(3-chlorophenyl)propanoic (3S)-3-(2-amino-4-oxo-3,5-dihydr…
| 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) | 1.47 | 5.3 | -62.49 | 4 | 7 | -1 | 128 | 331.739 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 4.15 | -109.3 | 3 | 7 | -2 | 131 | 330.731 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 4.29 | -15.5 | 5 | 7 | 0 | 125 | 332.747 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 22 | 0.47 | Binding ≤ 1μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 31 | 0.46 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 22 | 0.47 | Binding ≤ 10μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 31 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
