| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 18 | Yes |
Popular Name: 6-[(2S,6S)-2,6-dimethylpiperazine-1-carbonyl]pyridine-3-carbonitrile 6-[(2S,6S)-2,6-dimethylpiperazin…
| 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) | -0.08 | 4.74 | -48.14 | 2 | 5 | 1 | 74 | 245.306 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 3.42 | -7.79 | 1 | 5 | 0 | 69 | 244.298 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
