| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 21 | Yes |
Popular Name: (3R)-N-(4-bromo-3-methyl-phenyl)-1-(2-cyanoethyl)piperidine-3-carboxamide (3R)-N-(4-bromo-3-methyl-phenyl)…
| 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) | 2.56 | 8.86 | -56.7 | 2 | 4 | 1 | 57 | 351.268 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 6.62 | -12.82 | 1 | 4 | 0 | 56 | 350.26 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
