| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2011 | 16 | Yes |
Popular Name: (3S,4S)-4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-amine (3S,4S)-4-methyl-1-[2-(2-methyli…
| 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) | -0.15 | 4.45 | -82.61 | 4 | 4 | 2 | 50 | 224.352 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.15 | 3.98 | -46.55 | 3 | 4 | 1 | 49 | 223.344 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 6.17 | -96.79 | 4 | 4 | 2 | 50 | 224.352 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 6.45 | -194.76 | 5 | 4 | 3 | 51 | 225.36 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
