| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 19 | Yes |
Popular Name: (3R)-1-[(2-cyano-3-pyridyl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(2-cyano-3-pyridyl)methy…
| 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) | 0.93 | 7.67 | -55.28 | 1 | 5 | 0 | 81 | 259.309 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.93 | 5.97 | -56.77 | 0 | 5 | -1 | 80 | 258.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
