In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 18 | Yes |
Popular Name: N-[[(3S)-1-(6-methylpyrimidin-4-yl)-3-piperidyl]methyl]propan-1-amine N-[[(3S)-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) | 1.76 | 8.26 | -42.93 | 2 | 4 | 1 | 46 | 249.382 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 8.69 | -82.04 | 3 | 4 | 2 | 47 | 250.39 | 5 | ↓ |