| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 28 | Yes |
Popular Name: 6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine 6-[4-[(2-fluorophenyl)methyl]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) | 3.78 | 10.42 | -28.61 | 4 | 6 | 1 | 72 | 379.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 13 | -42.05 | 4 | 6 | 1 | 72 | 379.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 13.39 | -96.05 | 5 | 6 | 2 | 73 | 380.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.78 | 10.77 | -9.05 | 3 | 6 | 0 | 70 | 378.455 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.78 | 12.64 | -85.21 | 5 | 6 | 2 | 73 | 380.471 | 5 | ↓ |
