| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2011 | 33 | No |
Popular Name: Myrtillin Myrtillin
None
| 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) | -3.08 | -10.53 | -17.27 | 9 | 12 | 0 | 212 | 465.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | -3.08 | -9.78 | -32.27 | 8 | 12 | 0 | 215 | 464.379 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0970621A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.