In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 29 | Yes |
Popular Name: N-[4-[(6-dimethylamino-2-methyl-pyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide N-[4-[(6-dimethylamino-2-methyl-…
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) | 3.44 | 8.24 | -42.13 | 3 | 8 | 1 | 90 | 392.439 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 8.17 | -38.8 | 3 | 8 | 1 | 90 | 392.439 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.44 | 7.9 | -19.47 | 2 | 8 | 0 | 89 | 391.431 | 5 | ↓ |