In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 18 | No |
Popular Name: 2-chloro-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine 2-chloro-N-methyl-N-[2-(4-methyl…
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 | 5.61 | -42.61 | 1 | 5 | 1 | 37 | 270.788 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 3.23 | -6.39 | 0 | 5 | 0 | 35 | 269.78 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.16 | 5.49 | -47.64 | 1 | 5 | 1 | 37 | 270.788 | 4 | ↓ |