| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 26th, 2004 | 26 | No |
Popular Name: (8R,8aS)-6-amino-2-methyl-8-phenethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (8R,8aS)-6-amino-2-methyl-8-phen…
| 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) | 2.99 | 8.45 | -9.41 | 2 | 5 | 0 | 101 | 343.434 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 8.29 | -46.46 | 3 | 5 | 1 | 102 | 344.442 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.99 | 9.88 | -53.65 | 3 | 5 | 1 | 102 | 344.442 | 3 | ↓ |
