| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: N-methyl-1-[5-[[(3R)-3-methylthiomorpholin-4-yl]methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[[(3R)-3-methylthi…
| 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) | 0.98 | 5.5 | -99.49 | 3 | 4 | 2 | 47 | 243.376 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.98 | 4.04 | -42.44 | 2 | 4 | 1 | 42 | 242.368 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
