| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (2S,3R)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-amine (2S,3R)-1-ethyl-2-(1-methylpyraz…
| 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) | -0.06 | 1.65 | -43.67 | 3 | 4 | 1 | 49 | 209.317 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 1.37 | -5.09 | 2 | 4 | 0 | 47 | 208.309 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 3.78 | -108.16 | 4 | 4 | 2 | 50 | 210.325 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.06 | 3.48 | -33.4 | 3 | 4 | 1 | 48 | 209.317 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
