| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 22 | Yes |
Popular Name: 4-(4-ethylpiperazin-1-yl)-2-methylsulfanyl-quinoline-3-carbonitrile 4-(4-ethylpiperazin-1-yl)-2-meth…
| 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) | 3.17 | 10.28 | -39.77 | 1 | 4 | 1 | 44 | 313.45 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.17 | 8.07 | -7.28 | 0 | 4 | 0 | 43 | 312.442 | 3 | ↓ |
