| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 24 | No |
Popular Name: (8R,8aS)-6-amino-8-(4-fluorophenyl)-1,3,8,8a-tetrahydroisochromene-5,7,7-tricarbonitrile (8R,8aS)-6-amino-8-(4-fluorophen…
| 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) | 2.48 | 5.76 | -9.58 | 2 | 5 | 0 | 107 | 320.327 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | 5.57 | -53.02 | 3 | 5 | 1 | 108 | 321.335 | 1 | ↓ |
