| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | No |
Popular Name: [(3S)-3-[(2R)-2-methyl-1-piperidyl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(2R)-2-methyl-1-piperid…
| 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) | -0.02 | -0.28 | -11.85 | 2 | 4 | 0 | 63 | 246.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | -0.43 | -60.14 | 3 | 4 | 1 | 65 | 247.384 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | 1.68 | -44.37 | 3 | 4 | 1 | 65 | 247.384 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.02 | 1.52 | -135.65 | 4 | 4 | 2 | 66 | 248.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
