| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | No |
Popular Name: (2S)-2-bromo-1-[4-(3-pyridylmethyl)piperazin-1-yl]butan-1-one (2S)-2-bromo-1-[4-(3-pyridylmeth…
| 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) | 1.32 | 5.11 | -8.62 | 0 | 4 | 0 | 36 | 326.238 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 7.33 | -48.67 | 1 | 4 | 1 | 38 | 327.246 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
