| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 16 | No |
Popular Name: (3R)-1-[(1R,2R,4S)-2,4-dimethylcyclohexyl]-3-methyl-piperidin-4-one (3R)-1-[(1R,2R,4S)-2,4-dimethylc…
| 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) | 2.54 | 8.28 | -40.69 | 1 | 2 | 1 | 22 | 224.368 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 6.55 | -3.43 | 0 | 2 | 0 | 20 | 223.36 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
