In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 24th, 2010 | 16 | Yes |
Popular Name: [(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]-2-piperidyl]methanamine [(2R)-1-[2-(2-methylimidazol-1-y…
None
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) | -0.19 | 4.56 | -92.18 | 4 | 4 | 2 | 50 | 224.352 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.19 | 4.09 | -50.06 | 3 | 4 | 1 | 49 | 223.344 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.19 | 5.89 | -133.75 | 4 | 4 | 2 | 50 | 224.352 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.19 | 6.36 | -201.95 | 5 | 4 | 3 | 51 | 225.36 | 4 | ↓ |