| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 15 | No |
Popular Name: (3R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-piperidin-3-amine (3R)-N-[(3R)-1,1-dioxothiolan-3-…
| 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) | -0.31 | -1.8 | -10.13 | 1 | 4 | 0 | 49 | 232.349 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 0.35 | -50.7 | 2 | 4 | 1 | 51 | 233.357 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.31 | 1.69 | -131.76 | 3 | 4 | 2 | 55 | 234.365 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
