| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 14 | No |
Popular Name: [(3S)-3-[(3R)-3-methylthiomorpholin-4-yl]tetrahydrothiophen-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) | 0.58 | 3.07 | -48.81 | 3 | 2 | 1 | 31 | 233.426 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.58 | 3.26 | -4.45 | 2 | 2 | 0 | 29 | 232.418 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.58 | 4.99 | -121.64 | 4 | 2 | 2 | 32 | 234.434 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
