| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 20 | No |
Popular Name: [(3R)-3-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]tetrahydrothiopyran-3-yl]methanamine [(3R)-3-[4-(pyrrolidin-1-ylmethy…
| 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) | 1.34 | 6.31 | -91.73 | 4 | 3 | 2 | 35 | 299.528 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 5.57 | -33.08 | 3 | 3 | 1 | 34 | 298.52 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 7.73 | -90.92 | 4 | 3 | 2 | 35 | 299.528 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 8.2 | -200.68 | 5 | 3 | 3 | 37 | 300.536 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
