| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: (2R)-2-[(3S)-3-methylthiomorpholin-4-yl]-2-[(3S)-tetrahydropyran-3-yl]ethanamine (2R)-2-[(3S)-3-methylthiomorphol…
| 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) | 0.61 | 2.89 | -48.18 | 3 | 3 | 1 | 40 | 245.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.61 | 2.68 | -3.11 | 2 | 3 | 0 | 38 | 244.404 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.61 | 4.46 | -122.74 | 4 | 3 | 2 | 41 | 246.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
