| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 20 | Yes |
Popular Name: 1-[4-[(5-bromo-2-pyridyl)methyl]piperazin-1-yl]-3-methyl-butan-1-one 1-[4-[(5-bromo-2-pyridyl)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) | 2.42 | 6.17 | -10.21 | 0 | 4 | 0 | 36 | 340.265 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.42 | 8.4 | -49.22 | 1 | 4 | 1 | 38 | 341.273 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
