| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 15 | Yes |
Popular Name: (2S)-2-[(1S)-cyclohex-3-en-1-yl]-2-piperazin-1-yl-acetonitrile (2S)-2-[(1S)-cyclohex-3-en-1-yl]…
| 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) | 1.21 | 4.14 | -43.74 | 2 | 3 | 1 | 44 | 206.313 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.21 | 2.78 | -5.58 | 1 | 3 | 0 | 39 | 205.305 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
