In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 27 | Yes |
Popular Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5-(p-tolyl)-1H-thieno[2,3-d]pyrimidin-4-one 2-[(2-chloro-6-fluoro-benzyl)thi…
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) | 6.73 | 11.15 | -17.81 | 1 | 3 | 0 | 46 | 416.93 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.19 | 9.92 | -52.67 | 0 | 3 | -1 | 49 | 415.922 | 4 | ↓ |