| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2010 | 20 | Yes |
Popular Name: (2R)-N-[(6-methyl-3-pyridyl)methyl]-1-propyl-piperidine-2-carboxamide (2R)-N-[(6-methyl-3-pyridyl)meth…
| 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) | 1.44 | 6.86 | -34.77 | 2 | 4 | 1 | 46 | 276.404 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.44 | 4.76 | -8.26 | 1 | 4 | 0 | 45 | 275.396 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.44 | 7.29 | -81.71 | 3 | 4 | 2 | 48 | 277.412 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
