| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | Yes |
Popular Name: [(2S,6S)-2,6-dimethylpiperazin-1-yl]-[6-(trifluoromethyl)-3-pyridyl]methanone [(2S,6S)-2,6-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) | 0.59 | 4.4 | -52.11 | 2 | 4 | 1 | 50 | 288.293 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.59 | 3.07 | -6.42 | 1 | 4 | 0 | 45 | 287.285 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
