| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | No |
Popular Name: [(3S)-1-methyl-3-[(3R)-3-methylthiomorpholin-4-yl]pyrrolidin-3-yl]methanamine [(3S)-1-methyl-3-[(3R)-3-methylt…
| 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) | 0.08 | 2.95 | -37.79 | 3 | 3 | 1 | 34 | 230.401 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 2.92 | -114.2 | 4 | 3 | 2 | 35 | 231.409 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 0.23 | -42.48 | 3 | 3 | 1 | 34 | 230.401 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
