| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2010 | 19 | Yes |
Popular Name: (3R)-3-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]butanenitrile (3R)-3-[4-(2,6-dimethylpyrimidin…
| 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) | 0.45 | 6 | -12.29 | 0 | 5 | 0 | 56 | 259.357 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 7.99 | -48.51 | 1 | 5 | 1 | 57 | 260.365 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.45 | 6.4 | -33.51 | 1 | 5 | 1 | 57 | 260.365 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.45 | 8.39 | -90.23 | 2 | 5 | 2 | 58 | 261.373 | 3 | ↓ |
