In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 28 | Yes |
Popular Name: 2-(2-methoxyphenoxy)-1-[(1R)-1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone 2-(2-methoxyphenoxy)-1-[(1R)-1-(…
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) | 2.84 | 10.65 | -18.33 | 0 | 5 | 0 | 52 | 374.44 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.84 | 11.11 | -35.46 | 1 | 5 | 1 | 53 | 375.448 | 5 | ↓ |