| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 17 | Yes |
Popular Name: 3-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]pyridine-2-carbonitrile 3-[[(2S,6S)-2,6-dimethylpiperazi…
| 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) | 0.62 | 3.1 | -43.89 | 2 | 4 | 1 | 57 | 231.323 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.62 | 1.76 | -8.73 | 1 | 4 | 0 | 52 | 230.315 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
