| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 21 | No |
Popular Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dihydroxyphenyl)ethanone 2-(3,4-dihydro-1H-isoquinolin-2-…
| 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) | 1.91 | 3.38 | -13.62 | 2 | 4 | 0 | 61 | 283.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 4.3 | -46.9 | 1 | 4 | -1 | 64 | 282.319 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 5.57 | -51.31 | 3 | 4 | 1 | 62 | 284.335 | 3 | ↓ |
