| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 16 | Yes |
Popular Name: (1R,2S)-2-[[(3R)-2-oxo-3-piperidyl]amino]cyclohexanecarbonitrile (1R,2S)-2-[[(3R)-2-oxo-3-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) | 1.15 | 3.19 | -38.19 | 3 | 4 | 1 | 69 | 222.312 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 2.21 | -7.96 | 2 | 4 | 0 | 65 | 221.304 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
