In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 21st, 2012 | 19 | Yes |
Popular Name: 2-(2-fluoroethylsulfanyl)-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-4-one 2-(2-fluoroethylsulfanyl)-5-(2-t…
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) | 4.02 | 6.29 | -18.78 | 1 | 3 | 0 | 46 | 312.416 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.02 | 6.8 | -11.13 | 1 | 3 | 0 | 46 | 312.416 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.48 | 5.05 | -45.15 | 0 | 3 | -1 | 49 | 311.408 | 4 | ↓ |