In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2005 | 38 | No |
Popular Name: 1-(2,3-dihydrobenzofuran-5-ylBLAHyl)-3-[6-(2-dimethylaminoethoxy)-3-pyridyl]-prop-2-en-1-one 1-(2,3-dihydrobenzofuran-5-ylBLA…
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) | 4.66 | 12.52 | -48.67 | 2 | 7 | 1 | 72 | 509.63 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.66 | 13.22 | -124.59 | 3 | 7 | 2 | 73 | 510.638 | 7 | ↓ |