| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 20 | Yes |
Popular Name: (4Z,11E)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene (4Z,11E)-5,7,7,12,14,14-hexameth…
| 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) | 2.53 | 3.02 | -85.39 | 4 | 4 | 2 | 58 | 282.476 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 0.42 | -2.93 | 2 | 4 | 0 | 49 | 280.46 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 2.14 | -3.15 | 2 | 4 | 0 | 49 | 280.46 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 2.23 | -34.03 | 3 | 4 | 1 | 53 | 281.468 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 3.52 | -28.68 | 3 | 4 | 1 | 53 | 281.468 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | -1.16 | -3.94 | 2 | 4 | 0 | 49 | 280.46 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 1.61 | -28.07 | 3 | 4 | 1 | 53 | 281.468 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 0.56 | -39.14 | 3 | 4 | 1 | 53 | 281.468 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 240 - 242 | MolMall (formerly Molecular Diversity Preservation International) |
| PUBCHEM_PATENT_ID | EP0524161A1; EP0598753A1; EP0598753B1; US5610293; US5637578; US5874421; US6084093 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
