| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 27 | No |
Popular Name: 6-amino-8-(3,4-difluorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(3,4-difluorophenyl)-2…
| 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) | 2.99 | 6.11 | -14.75 | 2 | 5 | 0 | 101 | 365.387 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 3.86 | -114.39 | 3 | 5 | 2 | 101 | 367.403 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 5.91 | -48.54 | 3 | 5 | 1 | 102 | 366.395 | 2 | ↓ |
