| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-en-1-amine N-[2-(4-pyrimidin-2-ylpiperazin-…
| 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) | 0.72 | 6.05 | -43.18 | 2 | 5 | 1 | 49 | 248.354 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 4.68 | -5.83 | 1 | 5 | 0 | 44 | 247.346 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.72 | 8.25 | -119.81 | 3 | 5 | 2 | 50 | 249.362 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
