| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: (3aR,5S,7aS)-2-(3-fluoro-2-pyridyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine (3aR,5S,7aS)-2-(3-fluoro-2-pyrid…
| 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) | 1.40 | 5.12 | -47.56 | 3 | 3 | 1 | 44 | 236.314 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 5.5 | -91.6 | 4 | 3 | 2 | 45 | 237.322 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
