| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 21 | Yes |
Popular Name: 4-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-(3,4-dihydro-1H-isoqui…
| 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) | 2.30 | 6.33 | -8.58 | 1 | 3 | 0 | 47 | 278.355 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 8.64 | -50.46 | 2 | 3 | 1 | 48 | 279.363 | 3 | ↓ |
