| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2011 | 20 | Yes |
Popular Name: 2-[4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-[(2-bromo-4-fluoro-phenyl)m…
| 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 | 6.35 | -35.53 | 1 | 3 | 1 | 11 | 345.28 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 3.86 | -2.99 | 0 | 3 | 0 | 10 | 344.272 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 8.43 | -89.29 | 2 | 3 | 2 | 12 | 346.288 | 5 | ↓ |
