In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 20 | Yes |
Popular Name: 2-[4-[[methyl-[2-(4-pyridyl)ethyl]amino]methyl]-1-piperidyl]ethanol 2-[4-[[methyl-[2-(4-pyridyl)ethy…
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) | 1.03 | 6.75 | -101.89 | 3 | 4 | 2 | 42 | 279.428 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 4.42 | -45.87 | 2 | 4 | 1 | 41 | 278.42 | 7 | ↓ |