| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 28 | Yes |
Popular Name: 6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-N4-phenyl-pyrimidine-2,4-diamine 6-[4-[(3-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) | 3.81 | 11.16 | -31.44 | 4 | 6 | 1 | 72 | 379.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 12.64 | -92.4 | 5 | 6 | 2 | 73 | 380.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 13.38 | -103.92 | 5 | 6 | 2 | 73 | 380.471 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 13 | -48.57 | 4 | 6 | 1 | 72 | 379.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 10.42 | -29.52 | 4 | 6 | 1 | 72 | 379.463 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.81 | 10.77 | -8.98 | 3 | 6 | 0 | 70 | 378.455 | 5 | ↓ |
