| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 20 | Yes |
Popular Name: (3aS,7aR)-2-benzyl-1,2,3,4,5,6,7,7a-octahydroisoindol-2-ium-3a-carboxylic-acid-methyl-ester (3aS,7aR)-2-benzyl-1,2,3,4,5,6,7…
| 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) | 3.32 | 2.62 | -41.28 | 1 | 3 | 1 | 30 | 274.384 | 4 | ↓ |
