| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 27 | No |
Popular Name: 6-amino-8-benzyl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile 6-amino-8-benzyl-2-propyl-1,3,8,…
| 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) | 3.35 | 7.48 | -8.33 | 2 | 5 | 0 | 101 | 357.461 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 2.11 | -120.42 | 3 | 5 | 2 | 101 | 359.477 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 7.28 | -43.92 | 3 | 5 | 1 | 102 | 358.469 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.35 | 9.77 | -58.6 | 3 | 5 | 1 | 102 | 358.469 | 4 | ↓ |
