| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 3-[(1R)-1-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzonitrile 3-[(1R)-1-(5-amino-3,4-dihydro-1…
| 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) | 2.86 | 7.42 | -6.34 | 2 | 3 | 0 | 53 | 277.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.86 | 9.38 | -45.02 | 3 | 3 | 1 | 54 | 278.379 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
