| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2009 | 34 | Yes |
Popular Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(pentanoylamino)quinoline-4-carboxylic 2-[4-[(3-chlorophenyl)methyl]pip…
| 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) | 5.23 | 12.09 | -75.9 | 2 | 7 | 0 | 90 | 480.996 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 10.02 | -46.14 | 2 | 7 | 0 | 90 | 480.996 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 12.34 | -108.66 | 3 | 7 | 1 | 91 | 482.004 | 8 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 9.77 | -51.92 | 1 | 7 | -1 | 89 | 479.988 | 8 | ↓ |
