| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 1st, 2006 | 26 | No |
Popular Name: 6-amino-8-(3-bromophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(3-bromophenyl)-2-ethy…
| 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) | 3.52 | 6.62 | -10.62 | 2 | 5 | 0 | 101 | 408.303 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 2.11 | -108.92 | 3 | 5 | 2 | 101 | 410.319 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 6.41 | -42.66 | 3 | 5 | 1 | 102 | 409.311 | 2 | ↓ |
