| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2011 | 27 | No |
Popular Name: 4-[4-(2-adamantylidene)-1,3-benzoxazin-2-ylidene]cyclohexa-2,5-dien-1-one 4-[4-(2-adamantylidene)-1,3-benz…
| 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) | 6.29 | 9.05 | -9.12 | 1 | 3 | 0 | 46 | 357.453 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 6.07 | 12.73 | -21.79 | 1 | 3 | 0 | 44 | 358.461 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0863906A2; US6107036 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
![4-[4-(2-adamantylidene)-1,3-benzoxazin-2-ylidene]cyclohexa-2,5-dien-1-one](http://zinc12.docking.org/img/rings/197861.gif)