| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 12 | Yes |
Popular Name: (4aR,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one (4aR,8aS)-1-methyl-2,3,4,4a,5,7,…
| 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) | 0.94 | 5.6 | -42.33 | 1 | 2 | 1 | 22 | 168.26 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.94 | 3.32 | -4.6 | 0 | 2 | 0 | 20 | 167.252 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0138417A2; US4507478; US4565871 | IBM Patent Data |
