| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2010 | 16 | Yes |
Popular Name: (3R)-1-[(1-ethylimidazol-2-yl)methyl]-N-methyl-piperidin-3-amine (3R)-1-[(1-ethylimidazol-2-yl)me…
| 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) | 0.45 | 4.76 | -82.9 | 3 | 4 | 2 | 39 | 224.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 3.06 | -5.44 | 1 | 4 | 0 | 33 | 222.336 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 4.3 | -44.93 | 2 | 4 | 1 | 38 | 223.344 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.45 | 3.52 | -26.82 | 2 | 4 | 1 | 34 | 223.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
