In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 18 | No |
Popular Name: 2-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]-N,N-dimethyl-ethanamine 2-[4-(2-chloropyrimidin-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) | 1.16 | 5.53 | -42.55 | 1 | 5 | 1 | 37 | 270.788 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 3.04 | -6.61 | 0 | 5 | 0 | 35 | 269.78 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.16 | 7.74 | -121.12 | 2 | 5 | 2 | 38 | 271.796 | 4 | ↓ |