| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 16 | Yes |
Popular Name: 2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine 2-[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) | -0.98 | 1.75 | -49.83 | 3 | 5 | 1 | 60 | 222.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.98 | 2.2 | -84.35 | 4 | 5 | 2 | 61 | 223.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.98 | 3.97 | -126.59 | 4 | 5 | 2 | 61 | 223.324 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.98 | 4.42 | -180.33 | 5 | 5 | 3 | 62 | 224.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
