| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 22 | Yes |
Popular Name: 2-amino-6-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile 2-amino-6-[2-(4-methylpiperazin-…
| 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) | 0.09 | 3.28 | -13.96 | 2 | 7 | 0 | 110 | 316.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.09 | 5.63 | -53.86 | 3 | 7 | 1 | 111 | 317.398 | 3 | ↓ |
