| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 11 | Yes |
| 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) | -0.93 | -4.38 | -17.02 | 4 | 6 | 0 | 100 | 151.129 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.93 | -4.81 | -50.83 | 5 | 6 | 1 | 101 | 152.137 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.64 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_RAT | P85973 | Purine-nucleoside Phosphorylase, Rat | 10000 | 0.64 | Binding ≤ 10μM |
