| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 13 | No |
Popular Name: (2R,6R)-2,6-dimethyl-4-[(3R)-pyrrolidin-3-yl]thiomorpholine (2R,6R)-2,6-dimethyl-4-[(3R)-pyr…
| 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) | 1.36 | 4.03 | -42.05 | 2 | 2 | 1 | 20 | 201.359 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 2.8 | -1.93 | 1 | 2 | 0 | 15 | 200.351 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 4.41 | -33.82 | 2 | 2 | 1 | 16 | 201.359 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.36 | 5.85 | -112.83 | 3 | 2 | 2 | 21 | 202.367 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
