In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 17 | Yes |
Popular Name: [6-(4-ethyl-4-methyl-1-piperidyl)-3-pyridyl]methanamine [6-(4-ethyl-4-methyl-1-piperidyl…
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) | 2.23 | 5.74 | -45.38 | 3 | 3 | 1 | 44 | 234.367 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 5.33 | -4.02 | 2 | 3 | 0 | 42 | 233.359 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.06 | -102.1 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |