In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 24 | Yes |
Popular Name: 2-(diethylaminomethyl)-3-[3-(dimethylamino)propyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one 2-(diethylaminomethyl)-3-[3-(dim…
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) | 2.37 | 11.97 | -112.57 | 2 | 5 | 2 | 44 | 352.548 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 9.69 | -49.39 | 1 | 5 | 1 | 43 | 351.54 | 8 | ↓ |