| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2010 | 19 | No |
Popular Name: 2-[[[1-(2-pyridyl)-4-piperidyl]amino]methylene]propanedinitrile 2-[[[1-(2-pyridyl)-4-piperidyl]a…
| 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) | 1.00 | 7.41 | -44.9 | 2 | 5 | 1 | 77 | 254.317 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 7.09 | -16.56 | 1 | 5 | 0 | 76 | 253.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
