| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 14 | No |
Popular Name: (3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine (3S)-1-[(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) | -0.87 | -2.36 | -10.41 | 2 | 4 | 0 | 63 | 218.322 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 0.14 | -138.01 | 4 | 4 | 2 | 66 | 220.338 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.87 | 0.05 | -51.07 | 3 | 4 | 1 | 65 | 219.33 | 1 | ↓ |
