| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | Yes |
Popular Name: (4S)-2,2-dimethyl-4-piperazin-1-yl-tetrahydropyran-4-carbonitrile (4S)-2,2-dimethyl-4-piperazin-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) | 0.68 | 1.32 | -44.44 | 2 | 4 | 1 | 53 | 224.328 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | -0.04 | -5.02 | 1 | 4 | 0 | 48 | 223.32 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
