| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: N-methyl-3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine N-methyl-3-[[(3S)-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) | 1.37 | 6.83 | -37.3 | 2 | 3 | 1 | 29 | 238.38 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 4.65 | -5.12 | 1 | 3 | 0 | 28 | 237.372 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 7.21 | -94 | 3 | 3 | 2 | 31 | 239.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
