| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2011 | 16 | Yes |
Popular Name: [(2R,5S)-2,5-dimethylpiperazin-1-yl]-(4-pyridyl)methanone [(2R,5S)-2,5-dimethylpiperazin-1…
| 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 | 3.45 | -49.31 | 2 | 4 | 1 | 50 | 220.296 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 2.2 | -7.47 | 1 | 4 | 0 | 45 | 219.288 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
