In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 17 | Yes |
Popular Name: N-[[(3R)-1-(6-methylpyrimidin-4-yl)-3-piperidyl]methyl]ethanamine N-[[(3R)-1-(6-methylpyrimidin-4-…
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) | 1.26 | 7.51 | -41.96 | 2 | 4 | 1 | 46 | 235.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.26 | 7.94 | -80.65 | 3 | 4 | 2 | 47 | 236.363 | 4 | ↓ |