| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2011 | 21 | Yes |
Popular Name: (3S)-1-[(2-cyano-3-pyridyl)methyl]-3-propyl-piperidine-3-carboxylic (3S)-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) | 1.82 | 8.93 | -54.03 | 1 | 5 | 0 | 81 | 287.363 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 7.16 | -55.12 | 0 | 5 | -1 | 80 | 286.355 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
