| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 25 | Yes |
Popular Name: (2S)-N-[[2-[4-(2-pyridyl)piperazin-1-yl]-3-pyridyl]methyl]pentan-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) | 3.11 | 11.16 | -86.03 | 3 | 5 | 2 | 50 | 341.503 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 10.83 | -40.53 | 2 | 5 | 1 | 49 | 340.495 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 11.64 | -166.78 | 4 | 5 | 3 | 51 | 342.511 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
