| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: (2S,6R)-4-[[(2S,4S)-4-methoxypyrrolidin-2-yl]methyl]-2,6-dimethyl-thiomorpholine (2S,6R)-4-[[(2S,4S)-4-methoxypyr…
| 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) | 1.33 | 4.14 | -39.62 | 2 | 3 | 1 | 29 | 245.412 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 2.57 | -3.49 | 1 | 3 | 0 | 24 | 244.404 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.82 | -35.15 | 2 | 3 | 1 | 26 | 245.412 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 5.9 | -123.2 | 3 | 3 | 2 | 30 | 246.42 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
