In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2004 | 30 | Yes |
Popular Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5-tetralin-6-yl-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) | 7.47 | 12.98 | -17.96 | 1 | 3 | 0 | 46 | 456.995 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.92 | 11.75 | -53.59 | 0 | 3 | -1 | 49 | 455.987 | 4 | ↓ |