| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 34 | Yes |
Popular Name: cephaeline cephaeline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 483-17-0 , [483-17-0]
| 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) | 3.33 | 10.08 | -129.43 | 4 | 6 | 2 | 69 | 468.638 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 6.68 | -11.19 | 2 | 6 | 0 | 63 | 466.622 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 8.83 | -51.97 | 3 | 6 | 1 | 64 | 467.63 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 6.239 | Bitter DB |
| PUBCHEM_PATENT_ID | EP0314846A1; EP0314846B1; EP0355575A2; EP0355575B1; EP0642586A1; EP0878549A3; EP0911039A2; EP1021204A2; US4175119; US4459278; US4529583; US4940583; US5001115; US5196164; US5298220; US5446070; US5656286; US5719197; US5968253; US5980882; US6024976; WO199302 | IBM Patent Data |
