| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2011 | 17 | 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) | 2.81 | 8 | -49.16 | 0 | 3 | -1 | 49 | 231.271 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 6.01 | -7.46 | 1 | 3 | 0 | 47 | 232.279 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5068389 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
