In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 28 | Yes |
Popular Name: 5-(2,5-dimethylphenyl)-2-[(2-morpholinoethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5-(2,5-dimethylphenyl)-2-[(2-mor…
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) | 2.83 | 6.22 | -60.63 | 3 | 6 | 1 | 75 | 399.54 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 4.86 | -12.37 | 2 | 6 | 0 | 70 | 398.532 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.29 | 3.88 | -47.34 | 2 | 6 | 0 | 78 | 398.532 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 7.12 | -49.59 | 3 | 6 | 1 | 71 | 399.54 | 6 | ↓ |