In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 16 | Yes |
Popular Name: N-[[(3R)-1-pyrimidin-4-yl-3-piperidyl]methyl]ethanamine N-[[(3R)-1-pyrimidin-4-yl-3-pipe…
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) | 0.82 | 6.87 | -39.32 | 2 | 4 | 1 | 46 | 221.328 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.82 | 7.39 | -82.92 | 3 | 4 | 2 | 47 | 222.336 | 4 | ↓ |