| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 28 | No |
Popular Name: (8S,8aR)-6-amino-2-benzyl-8-isobutyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (8S,8aR)-6-amino-2-benzyl-8-isob…
| 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) | 3.72 | 9.29 | -9.07 | 2 | 5 | 0 | 101 | 371.488 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 10.78 | -50.71 | 3 | 5 | 1 | 102 | 372.496 | 4 | ↓ |
