| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 16 | No |
Popular Name: [(3S)-3-[(2S,6R)-2,6-dimethylthiomorpholin-4-yl]-1-methyl-pyrrolidin-3-yl]methanamine [(3S)-3-[(2S,6R)-2,6-dimethylthi…
| 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) | 0.48 | 3.25 | -38.65 | 3 | 3 | 1 | 34 | 244.428 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 4.01 | -115.77 | 4 | 3 | 2 | 35 | 245.436 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 1.14 | -48.9 | 3 | 3 | 1 | 34 | 244.428 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
