| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: (1S,2S)-2-(4,4-diethyl-1-piperidyl)cycloheptanecarbonitrile (1S,2S)-2-(4,4-diethyl-1-piperid…
| 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) | 4.63 | 9.97 | -36.32 | 1 | 2 | 1 | 28 | 263.449 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.63 | 8.36 | -4.93 | 0 | 2 | 0 | 27 | 262.441 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
