| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 35 | Yes |
Popular Name: N-isopropyl-2-[5-[4-(2-quinolyl)piperazin-1-yl]pentanoylamino]benzamide N-isopropyl-2-[5-[4-(2-quinolyl)…
| 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) | 3.95 | 13.07 | -49.82 | 3 | 7 | 1 | 79 | 474.629 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.95 | 10.86 | -17.05 | 2 | 7 | 0 | 78 | 473.621 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 13.35 | -99.94 | 4 | 7 | 2 | 80 | 475.637 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.95 | 11.14 | -33.5 | 3 | 7 | 1 | 79 | 474.629 | 9 | ↓ |
