| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2008 | 29 | Yes |
Popular Name: 4-[[4-(2,5-dioxo1,6,7,8-tetrahydroquinoline-3-carbonyl)piperazin-1-yl]methyl]benzonitrile 4-[[4-(2,5-dioxo1,6,7,8-tetrahyd…
| 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) | 0.82 | 6.5 | -26.33 | 1 | 7 | 0 | 97 | 390.443 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 5.46 | -51.15 | 0 | 7 | -1 | 100 | 389.435 | 3 | ↓ |
