| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 27 | Yes |
Popular Name: (3S)-1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-N-(2-methoxyethyl)piperidine-3-carboxamide (3S)-1-[1-[(2-fluorophenyl)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) | 2.14 | 6.97 | -38.65 | 2 | 5 | 1 | 46 | 378.512 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 6.87 | -38.32 | 2 | 5 | 1 | 46 | 378.512 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 9.26 | -104.89 | 3 | 5 | 2 | 47 | 379.52 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
