| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: 3-[[(3S)-3-methylthiomorpholin-4-yl]methyl]pyridin-2-amine 3-[[(3S)-3-methylthiomorpholin-4…
| 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) | 0.99 | 5.6 | -37.14 | 3 | 3 | 1 | 43 | 224.353 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 3.46 | -4.89 | 2 | 3 | 0 | 42 | 223.345 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.99 | 3.93 | -32.22 | 3 | 3 | 1 | 43 | 224.353 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | 6.07 | -96.26 | 4 | 3 | 2 | 45 | 225.361 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
