In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 29 | Yes |
Popular Name: 3,6-dihydro-2H-pyridin-1-yl-[3-[[4-(3-methylanilino)pyrimidin-2-yl]amino]phenyl]methanone 3,6-dihydro-2H-pyridin-1-yl-[3-[…
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) | 4.46 | 13.56 | -13.63 | 2 | 6 | 0 | 70 | 385.471 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.46 | 13.88 | -39.05 | 3 | 6 | 1 | 71 | 386.479 | 5 | ↓ |