| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | No |
Popular Name: [(3S)-3-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1,1-dioxo-thiolan-3-yl]methanamine [(3S)-3-[(3S,5S)-3,5-dimethyl-1-…
| 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) | 0.36 | 0.84 | -62.51 | 3 | 4 | 1 | 65 | 261.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 1.75 | -41.81 | 3 | 4 | 1 | 65 | 261.411 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.36 | 0.48 | -9.6 | 2 | 4 | 0 | 63 | 260.403 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 2.19 | -144.22 | 4 | 4 | 2 | 66 | 262.419 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
