| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine N-[2-(4-pyrimidin-2-ylpiperazin-…
| 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) | 0.24 | 4.61 | -7.3 | 1 | 5 | 0 | 44 | 245.33 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 6 | -45.04 | 2 | 5 | 1 | 49 | 246.338 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.24 | 6.82 | -40.63 | 2 | 5 | 1 | 45 | 246.338 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.24 | 8.19 | -122.95 | 3 | 5 | 2 | 50 | 247.346 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
