| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2011 | 21 | Yes |
Popular Name: 3-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile 3-[(7-methoxy-3,4-dihydro-1H-iso…
| 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) | 2.90 | 10.09 | -50.91 | 1 | 3 | 1 | 37 | 279.363 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 7.81 | -8.34 | 0 | 3 | 0 | 36 | 278.355 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
