| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 20 | Yes |
Popular Name: (3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-propanenitrile (3R)-3-(3,4-dihydro-1H-isoquinol…
| 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) | 2.77 | 8.93 | -7.73 | 0 | 2 | 0 | 27 | 262.356 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 11.17 | -40.67 | 1 | 2 | 1 | 28 | 263.364 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
