| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 15th, 2005 | 29 | No |
Popular Name: methyl 4-(6-amino-5,5,7-tricyano-2-ethyl-1,2,3,5,8,8a-hexahydro-8-isoquinolinyl)benzoate methyl 4-(6-amino-5,5,7-tricyano…
| 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) | 3.00 | 6.83 | -18.42 | 1 | 7 | 0 | 125 | 387.443 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 3.69 | -126.72 | 3 | 7 | 2 | 127 | 389.459 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.00 | 7.05 | -19.24 | 0 | 7 | 0 | 123 | 386.435 | 4 | ↓ |
