| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 21 | Yes |
Popular Name: Benzonitrile, 4-(1,4-dihydro-8-methoxy-4-oxo-2-quinazolinyl)- (9CI) Benzonitrile, 4-(1,4-dihydro-8-m…
Find On: PubMed — Wikipedia — Google
CAS Number: 211172-78-0
| 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) | 2.86 | 6.38 | -12.82 | 1 | 5 | 0 | 79 | 277.283 | 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 | 1340 | 0.39 | Binding ≤ 10μM |
| PARP2-1-E | Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1340 | 0.39 | Binding ≤ 10μM |
| Q8CFB8-1-E | ADP-ribosyltransferase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1340 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8CFB8_MOUSE | Q8CFB8 | ADP-ribosyltransferase, Mouse | 1340 | 0.39 | Binding ≤ 10μM |
| PARP1_MOUSE | P11103 | Poly [ADP-ribose] Polymerase-1, Mouse | 1340 | 0.39 | Binding ≤ 10μM |
| PARP2_MOUSE | O88554 | Poly [ADP-ribose] Polymerase-2, Mouse | 1340 | 0.39 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.