| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 21 | Yes |
Popular Name: 4(1H)-Quinazolinone, 8-methoxy-2-(4-methoxyphenyl)- (9CI) 4(1H)-Quinazolinone, 8-methoxy-2…
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CAS Number: 1036-50-6
| 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) | 3.17 | 5.3 | -11.45 | 1 | 5 | 0 | 64 | 282.299 | 3 | ↓ |
| 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 | 2000 | 0.38 | Binding ≤ 10μM |
| PARP2-1-E | Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.38 | Binding ≤ 10μM |
| Q8CFB8-1-E | ADP-ribosyltransferase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8CFB8_MOUSE | Q8CFB8 | ADP-ribosyltransferase, Mouse | 2000 | 0.38 | Binding ≤ 10μM |
| PARP1_MOUSE | P11103 | Poly [ADP-ribose] Polymerase-1, Mouse | 2000 | 0.38 | Binding ≤ 10μM |
| PARP2_MOUSE | O88554 | Poly [ADP-ribose] Polymerase-2, Mouse | 2000 | 0.38 | Binding ≤ 10μM |
