In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2009 | 27 | No |
Popular Name: 6-[(6,7-dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxy-benzoic 6-[(6,7-dihydroxy-2-methyl-3,4-d…
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) | -1.99 | 5.56 | -56.6 | 2 | 7 | 0 | 102 | 371.389 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 5.3 | -66.71 | 2 | 7 | -1 | 102 | 370.381 | 4 | ↓ |