| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 13 | Yes |
| 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) | 1.52 | 2.68 | -46.61 | 4 | 3 | 1 | 56 | 174.227 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 2.39 | -6.3 | 3 | 3 | 0 | 55 | 173.219 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5610294 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
