| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | No |
Popular Name: (3aS,7aR)-2-[2-(aminomethyl)-3-fluoro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (3aS,7aR)-2-[2-(aminomethyl)-3-f…
| 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) | 1.95 | 5.92 | -38.67 | 3 | 4 | 1 | 65 | 277.319 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.95 | 5.39 | -9.92 | 2 | 4 | 0 | 63 | 276.311 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
