| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | Yes |
Popular Name: N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]prop-2-yn-1-amine N-[2-[4-(2-pyridyl)piperazin-1-y…
| 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) | 0.63 | 4.16 | -29.7 | 2 | 4 | 1 | 33 | 245.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 3.85 | -6.17 | 1 | 4 | 0 | 31 | 244.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 5.55 | -82.08 | 3 | 4 | 2 | 37 | 246.358 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 6.38 | -93.24 | 3 | 4 | 2 | 34 | 246.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
