| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 14 | No |
Popular Name: (2S,6R)-2,6-dimethyl-4-[(3R)-3-piperidyl]thiomorpholine (2S,6R)-2,6-dimethyl-4-[(3R)-3-p…
| 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) | 1.28 | 2.88 | -1.87 | 1 | 2 | 0 | 15 | 214.378 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 4.2 | -41.56 | 2 | 2 | 1 | 20 | 215.386 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 5.07 | -33.13 | 2 | 2 | 1 | 16 | 215.386 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 6.41 | -112.47 | 3 | 2 | 2 | 21 | 216.394 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
