| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 10 | Yes |
Popular Name: (3aS,7aS)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole (3aS,7aS)-2-methyl-1,3,3a,4,5,6,…
| 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) | 2.36 | 6.2 | -31.98 | 1 | 1 | 1 | 4 | 140.25 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0740657A1; US5543530 | IBM Patent Data |
