| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3R,4S)-4-methyl-1-[2-(2-pyridyl)ethyl]piperidin-3-amine (3R,4S)-4-methyl-1-[2-(2-pyridyl…
| 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) | 0.72 | 5.21 | -111.61 | 4 | 3 | 2 | 45 | 221.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.72 | 2.99 | -41.86 | 3 | 3 | 1 | 44 | 220.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.72 | 4.91 | -34.04 | 3 | 3 | 1 | 43 | 220.34 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
