| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 26 | Yes |
Popular Name: (2S)-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]hexan-2-amine (2S)-N-[[2-[4-(2-pyridyl)piperaz…
| 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) | 3.61 | 11.94 | -86.8 | 3 | 5 | 2 | 50 | 355.53 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 11.62 | -40.94 | 2 | 5 | 1 | 49 | 354.522 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 12.42 | -167.92 | 4 | 5 | 3 | 51 | 356.538 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
