In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | Yes |
Popular Name: [2-(4-ethyl-4-methyl-1-piperidyl)-6-methyl-3-pyridyl]methanamine [2-(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 | 6.8 | -101.19 | 4 | 3 | 2 | 45 | 249.402 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 5.94 | -4.64 | 2 | 3 | 0 | 42 | 247.386 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | 6.39 | -24.3 | 3 | 3 | 1 | 43 | 248.394 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 6.36 | -48.85 | 3 | 3 | 1 | 44 | 248.394 | 3 | ↓ |