| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 27 | 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) | 4.35 | 10.89 | -48.05 | 2 | 4 | 1 | 46 | 386.947 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.35 | 8.75 | -7.25 | 1 | 4 | 0 | 45 | 385.939 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6084130 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
