In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2011 | 24 | Yes |
Popular Name: 1-[2-[[6-methyl-2-(3-pyridyl)pyrimidin-4-yl]amino]ethyl]azepan-2-one 1-[2-[[6-methyl-2-(3-pyridyl)pyr…
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) | 2.24 | 7.57 | -14.23 | 1 | 6 | 0 | 71 | 325.416 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.24 | 7.89 | -33.46 | 2 | 6 | 1 | 72 | 326.424 | 5 | ↓ |