| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: [4-[[(3R)-3-methylthiomorpholin-4-yl]methyl]-2-pyridyl]methanamine [4-[[(3R)-3-methylthiomorpholin-…
| 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) | 0.81 | 2.63 | -45.1 | 3 | 3 | 1 | 44 | 238.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | 2.22 | -4.75 | 2 | 3 | 0 | 42 | 237.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 4.67 | -101.14 | 4 | 3 | 2 | 45 | 239.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
