In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2010 | 15 | Yes |
Popular Name: [(3S)-1-(6-methylpyrimidin-4-yl)-3-piperidyl]methanamine [(3S)-1-(6-methylpyrimidin-4-yl)…
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) | 0.26 | 4.79 | -52.23 | 3 | 4 | 1 | 57 | 207.301 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.26 | 5.23 | -89.2 | 4 | 4 | 2 | 58 | 208.309 | 2 | ↓ |