| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 1st, 2006 | 27 | No |
Popular Name: 6-amino-2-ethyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-2-ethyl-8-phenethyl-1,3,…
| 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) | 3.36 | 9.06 | -9.24 | 2 | 5 | 0 | 101 | 357.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.45 | 3.35 | -113.52 | 3 | 5 | 2 | 101 | 359.477 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.36 | 8.9 | -46.53 | 3 | 5 | 1 | 102 | 358.469 | 4 | ↓ |
