In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 26 | Yes |
Popular Name: 3-[(4-chlorophenyl)methyl]-2-(diethylaminomethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one 3-[(4-chlorophenyl)methyl]-2-(di…
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) | 4.34 | 13.03 | -52.87 | 1 | 4 | 1 | 39 | 390.96 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 10.91 | -11.61 | 0 | 4 | 0 | 38 | 389.952 | 6 | ↓ |