| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 16 | No |
Popular Name: [(3S)-3-[(3R)-3-methyl-1-piperidyl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(3R)-3-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) | -0.11 | -0.89 | -9.99 | 2 | 4 | 0 | 63 | 246.376 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | 1.24 | -44.72 | 3 | 4 | 1 | 65 | 247.384 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.11 | -0.1 | -61.12 | 3 | 4 | 1 | 65 | 247.384 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.11 | 1.58 | -145.03 | 4 | 4 | 2 | 66 | 248.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
