| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 19 | 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) | 3.11 | 5.99 | -10.94 | 1 | 4 | 0 | 55 | 252.273 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1-2-E | Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4200 | 0.40 | Binding ≤ 10μM |
| PARP2-1-E | Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4200 | 0.40 | Binding ≤ 10μM |
| Q8CFB8-1-E | ADP-ribosyltransferase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4200 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8CFB8_MOUSE | Q8CFB8 | ADP-ribosyltransferase, Mouse | 4200 | 0.40 | Binding ≤ 10μM |
| PARP1_MOUSE | P11103 | Poly [ADP-ribose] Polymerase-1, Mouse | 4200 | 0.40 | Binding ≤ 10μM |
| PARP2_MOUSE | O88554 | Poly [ADP-ribose] Polymerase-2, Mouse | 4200 | 0.40 | Binding ≤ 10μM |
