In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 5,6-dimethyl-2-[(phenethylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one 5,6-dimethyl-2-[(phenethylamino)…
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) | 2.81 | 6.82 | -12.7 | 2 | 4 | 0 | 58 | 313.426 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 8.25 | -61.55 | 3 | 4 | 1 | 62 | 314.434 | 5 | ↓ |