| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: [5-[[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]methyl]isoxazol-3-yl]methanamine [5-[[(2S,6R)-2,6-dimethylthiomor…
| 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) | 1.00 | 4.54 | -107.69 | 4 | 4 | 2 | 58 | 243.376 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 4.13 | -43.3 | 3 | 4 | 1 | 56 | 242.368 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
