| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: [(3S)-3-[(3R)-3-methylthiomorpholin-4-yl]tetrahydrothiopyran-3-yl]methanamine [(3S)-3-[(3R)-3-methylthiomorpho…
| 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) | 0.85 | 3.61 | -42.55 | 3 | 2 | 1 | 31 | 247.453 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 2.76 | -2.52 | 2 | 2 | 0 | 29 | 246.445 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.85 | 5.36 | -112.4 | 4 | 2 | 2 | 32 | 248.461 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
