In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 14th, 2008 | 22 | Yes |
Popular Name: 3-[2-(2-pyridyl)ethyl]-5,6,7,8-tetrahydrobenzothiopheno[3,2-e]pyrimidin-4-one 3-[2-(2-pyridyl)ethyl]-5,6,7,8-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) | 2.62 | 9.91 | -16.18 | 0 | 4 | 0 | 48 | 311.41 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 10.27 | -42.46 | 1 | 4 | 1 | 49 | 312.418 | 3 | ↓ |