In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 28th, 2008 | 24 | Yes |
Popular Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methoxy-phenol 2-[(6,7-dimethoxy-3,4-dihydro-1H…
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) | 2.73 | 6.31 | -45.23 | 2 | 5 | 1 | 52 | 330.404 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 3.93 | -11.8 | 1 | 5 | 0 | 51 | 329.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.73 | 7.1 | -38.85 | 1 | 5 | 0 | 55 | 329.396 | 5 | ↓ |