| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2005 | 31 | No |
Popular Name: 6-amino-2-benzyl-8-(2-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-2-benzyl-8-(2-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) | 3.40 | 9.01 | -7.82 | 2 | 5 | 0 | 101 | 409.468 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 3.81 | -105.15 | 3 | 5 | 2 | 101 | 411.484 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.40 | 11.31 | -47.37 | 3 | 5 | 1 | 102 | 410.476 | 3 | ↓ |
