| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2009 | 27 | Yes |
Popular Name: 6-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic 6-acetamido-2-[4-(2-cyanoethyl)p…
| 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) | 0.73 | 4.58 | -50.77 | 2 | 8 | 0 | 114 | 367.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.73 | 4.33 | -54.74 | 1 | 8 | -1 | 112 | 366.401 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 6.96 | -119.19 | 3 | 8 | 1 | 115 | 368.417 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.73 | 6.7 | -86.14 | 2 | 8 | 0 | 114 | 367.409 | 5 | ↓ |
