| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 25 | No |
Popular Name: 6-amino-8-(2-bromophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(2-bromophenyl)-2-meth…
| 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) | 2.65 | 5.77 | -6.17 | 2 | 5 | 0 | 101 | 394.276 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 1.95 | -100.92 | 3 | 5 | 2 | 101 | 396.292 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.65 | 5.59 | -44.17 | 3 | 5 | 1 | 102 | 395.284 | 1 | ↓ |
