| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 21 | Yes |
Popular Name: 2-fluoro-4-[[4-(2-pyridyl)piperazin-1-yl]methyl]aniline 2-fluoro-4-[[4-(2-pyridyl)pipera…
| 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) | 2.00 | 5.86 | -30.2 | 3 | 4 | 1 | 47 | 287.362 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 7.77 | -41.5 | 3 | 4 | 1 | 47 | 287.362 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 5.54 | -6.47 | 2 | 4 | 0 | 45 | 286.354 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 8.09 | -95.61 | 4 | 4 | 2 | 48 | 288.37 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
