In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 32 | Yes |
Popular Name: 3-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]-N-[(1R)-1,3-dimethylbutyl]benzamide 3-[[2-amino-6-(3-methoxyanilino)…
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) | 5.45 | 11.49 | -13.52 | 5 | 8 | 0 | 114 | 434.544 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.45 | 11.54 | -36.47 | 6 | 8 | 1 | 115 | 435.552 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.45 | 11.5 | -35.22 | 6 | 8 | 1 | 115 | 435.552 | 9 | ↓ |