| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 21 | Yes |
Popular Name: 2-[[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]pyridine-4-carbonitrile 2-[[(2S)-3-methyl-2-(4-methylpip…
| 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) | 1.63 | 6.16 | -38.46 | 2 | 5 | 1 | 56 | 288.419 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.63 | 3.56 | -4.9 | 1 | 5 | 0 | 55 | 287.411 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.63 | 6.05 | -38.74 | 2 | 5 | 1 | 56 | 288.419 | 5 | ↓ |
