| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 1-[(3S)-3-methylthiomorpholin-4-yl]-2-piperazin-1-yl-ethanone 1-[(3S)-3-methylthiomorpholin-4-…
| 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) | -0.29 | 2.87 | -42.31 | 2 | 4 | 1 | 40 | 244.384 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.29 | 1.51 | -6.85 | 1 | 4 | 0 | 36 | 243.376 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
