| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: 4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-amine 4-[4-(2-methylpyrimidin-4-yl)pip…
| 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) | -0.44 | 5.52 | -107.31 | 4 | 5 | 2 | 61 | 251.378 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.3 | -48.05 | 3 | 5 | 1 | 60 | 250.37 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 5.97 | -159.97 | 5 | 5 | 3 | 62 | 252.386 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
