| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 23 | No |
| 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) | 0.93 | 9.09 | -44.22 | 0 | 6 | -1 | 79 | 340.421 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.93 | 9.64 | -110.72 | 0 | 6 | -2 | 79 | 339.413 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4209441 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.