| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: 3-[[(2R,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(2R,6R)-2,6-dimethylthiomorp…
| 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) | 1.39 | 5.46 | -32.71 | 3 | 3 | 1 | 43 | 238.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 4.98 | -4.74 | 2 | 3 | 0 | 42 | 237.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 6.64 | -38.83 | 3 | 3 | 1 | 43 | 238.38 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 7.12 | -99.36 | 4 | 3 | 2 | 45 | 239.388 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
