| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 18 | Yes |
Popular Name: (3R,4aS,8aR)-3-hexyl-3-methyl-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (3R,4aS,8aR)-3-hexyl-3-methyl-1,…
| 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) | 3.84 | 6.15 | -39.56 | 3 | 3 | 1 | 46 | 253.41 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.84 | 5.36 | -6.29 | 2 | 3 | 0 | 41 | 252.402 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0001559A2; EP0024337A1; EP0029088A2; US4167512; US4292240; US4297497; US4466916; US4711957; US5013836 | IBM Patent Data |
