| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: 3-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-amine 3-[4-(2-methylpyrimidin-4-yl)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) | -0.71 | 4.74 | -116.27 | 4 | 5 | 2 | 61 | 237.351 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | 2.14 | -6.17 | 2 | 5 | 0 | 58 | 235.335 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 2.96 | -83.07 | 4 | 5 | 2 | 61 | 237.351 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 5.19 | -169.6 | 5 | 5 | 3 | 62 | 238.359 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 2.51 | -49.28 | 3 | 5 | 1 | 60 | 236.343 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
