| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 16 | No |
Popular Name: [(3R)-3-(3,3-dimethyl-1-piperidyl)tetrahydrothiopyran-3-yl]methanamine [(3R)-3-(3,3-dimethyl-1-piperidy…
| 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) | 1.69 | 4.75 | -42.25 | 3 | 2 | 1 | 31 | 243.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 6.17 | -118.32 | 4 | 2 | 2 | 32 | 244.448 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 5.81 | -29.39 | 3 | 2 | 1 | 30 | 243.44 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
