In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2011 | 15 | No |
Popular Name: 4-[[(3S)-3-methylthiomorpholin-4-yl]methyl]piperidin-4-ol 4-[[(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) | 0.32 | 3.96 | -99.29 | 4 | 3 | 2 | 41 | 232.393 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 2.45 | -44.72 | 3 | 3 | 1 | 40 | 231.385 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.