| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 20 | Yes |
Popular Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine N-[(5-bromo-2-fluoro-phenyl)meth…
| 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) | 2.59 | 7.52 | -89.58 | 3 | 3 | 2 | 24 | 346.288 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.59 | 3.64 | -3.44 | 1 | 3 | 0 | 19 | 344.272 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 7.39 | -109.66 | 3 | 3 | 2 | 24 | 346.288 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.59 | 5.05 | -42.57 | 2 | 3 | 1 | 23 | 345.28 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
