| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2012 | 34 | No |
Popular Name: Store at -20°C Store at -20°C
Find On: PubMed — Wikipedia — Google
CAS Number: 5119-48-2
| 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) | 3.86 | 6.05 | -17.77 | 2 | 6 | 0 | 96 | 470.606 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.86 | 6.6 | -68.42 | 1 | 6 | -1 | 99 | 469.598 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Notes | Possible carcinogen | Apollo Scientific Bioactives |
No pre-computed analogs available. Try a structural similarity search.