| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2006 | 28 | No |
Popular Name: 6-amino-8-(4-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-(4-ethoxyphenyl)-2-eth…
| 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) | 3.17 | 6.55 | -8.75 | 2 | 6 | 0 | 110 | 373.46 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.26 | 2.43 | -112.58 | 3 | 6 | 2 | 110 | 375.476 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.17 | 6.36 | -48.48 | 3 | 6 | 1 | 111 | 374.468 | 4 | ↓ |
