| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 22 | Yes |
Popular Name: N-[(3-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-[(3-bromophenyl)methyl]-1-(2,2…
| 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) | 3.33 | 6.26 | -8.87 | 1 | 3 | 0 | 32 | 379.22 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 8.36 | -46.42 | 2 | 3 | 1 | 34 | 380.228 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 5.62 | -47.52 | 2 | 3 | 1 | 37 | 380.228 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
