| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 26 | No |
Popular Name: 6-amino-8-benzyl-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-benzyl-2-ethyl-1,3,8,8…
| 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) | 2.85 | 7.29 | -8.21 | 2 | 5 | 0 | 101 | 343.434 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.93 | 2.62 | -118.02 | 3 | 5 | 2 | 101 | 345.45 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.85 | 5.88 | -37.27 | 3 | 5 | 1 | 102 | 344.442 | 3 | ↓ |
