| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: 3-[(1S)-1-[(3S)-3-methylthiomorpholin-4-yl]ethyl]aniline 3-[(1S)-1-[(3S)-3-methylthiomorp…
| 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) | 2.07 | 6.55 | -32.62 | 3 | 2 | 1 | 30 | 237.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.07 | 5.03 | -3.02 | 2 | 2 | 0 | 29 | 236.384 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
