| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 27 | No |
Popular Name: (8S,8aS)-6-amino-2-benzyl-8-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (8S,8aS)-6-amino-2-benzyl-8-prop…
| 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) | 3.50 | 7.75 | -9.49 | 2 | 5 | 0 | 101 | 357.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.50 | 10.08 | -57.7 | 3 | 5 | 1 | 102 | 358.469 | 4 | ↓ |
