| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 28 | Yes |
Popular Name: (3S)-1-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(4-cyanophenyl)methyl…
| 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) | 1.78 | 7.3 | -43.57 | 2 | 6 | 1 | 70 | 385.532 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.78 | 4.91 | -10.65 | 1 | 6 | 0 | 69 | 384.524 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 9.56 | -122.38 | 3 | 6 | 2 | 71 | 386.54 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
