| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 24 | Yes |
Popular Name: 6-(4-but-2-ynylpiperazin-1-yl)-N-(m-tolyl)pyrimidin-4-amine 6-(4-but-2-ynylpiperazin-1-yl)-N…
| 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) | 3.86 | 10.23 | -31.55 | 2 | 5 | 1 | 46 | 322.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 10.93 | -33.09 | 2 | 5 | 1 | 46 | 322.436 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.86 | 10.58 | -7.87 | 1 | 5 | 0 | 44 | 321.428 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 12.49 | -86.89 | 3 | 5 | 2 | 47 | 323.444 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 13.17 | -98.91 | 3 | 5 | 2 | 47 | 323.444 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.86 | 12.84 | -41.81 | 2 | 5 | 1 | 45 | 322.436 | 4 | ↓ |
