| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 17 | No |
Popular Name: [(2S)-1-[2-(tetrahydrothiopyran-4-ylamino)ethyl]-2-piperidyl]methanol [(2S)-1-[2-(tetrahydrothiopyran-…
| 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) | 1.31 | 4.82 | -119.74 | 4 | 3 | 2 | 41 | 260.447 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 2.63 | -44.37 | 3 | 3 | 1 | 40 | 259.439 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 3.62 | -33.71 | 3 | 3 | 1 | 37 | 259.439 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
