| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 19 | Yes |
Popular Name: (3aR,7aS)-2-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1,3,3a,4,7,7a-hexahydroisoindole (3aR,7aS)-2-[(2-ethylsulfanylpyr…
| 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) | 3.01 | 8.77 | -43.61 | 1 | 3 | 1 | 30 | 276.429 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.01 | 6.43 | -5.45 | 0 | 3 | 0 | 29 | 275.421 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
