| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 16 | No |
Popular Name: (3S,6S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,6-dimethyl-piperidin-3-amine (3S,6S)-N-[(3R)-1,1-dioxothiolan…
| 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) | 0.37 | 0.16 | -51.7 | 2 | 4 | 1 | 54 | 247.384 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.37 | -1.13 | -10.41 | 1 | 4 | 0 | 49 | 246.376 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 1.09 | -52.25 | 2 | 4 | 1 | 51 | 247.384 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | 2.35 | -132.6 | 3 | 4 | 2 | 55 | 248.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
