| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: [6-methyl-2-[(3R)-3-methylthiomorpholin-4-yl]-3-pyridyl]methanamine [6-methyl-2-[(3R)-3-methylthiomo…
| 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) | 1.05 | 5.44 | -102.55 | 4 | 3 | 2 | 45 | 239.388 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 5.14 | -26.64 | 3 | 3 | 1 | 43 | 238.38 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 4.74 | -4.76 | 2 | 3 | 0 | 42 | 237.372 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 5.09 | -49.32 | 3 | 3 | 1 | 44 | 238.38 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
