| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2005 | 24 | No |
Popular Name: 6-amino-8-(4-fluorophenyl)-8,8a-dihydro-1H-isochromene-5,7,7(3H)-tricarbonitrile 6-amino-8-(4-fluorophenyl)-8,8a-…
| 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) | 2.57 | 6.03 | -11.52 | 1 | 5 | 0 | 104 | 320.327 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 6.26 | -13.06 | 0 | 5 | 0 | 103 | 319.319 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.57 | 1.61 | -43.96 | 2 | 5 | 1 | 106 | 321.335 | 1 | ↓ |
