| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 19 | No |
Popular Name: [(3S)-3-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]tetrahydrothiopyran-3-yl]methanamine [(3S)-3-[(3R)-3-(1-piperidyl)pyr…
| 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) | 1.19 | 5.29 | -92.49 | 4 | 3 | 2 | 35 | 285.501 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 3.02 | -39.31 | 3 | 3 | 1 | 34 | 284.493 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
