| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 24th, 2009 | 14 | Yes |
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) | 0.69 | 1.07 | -50.16 | 5 | 4 | 1 | 80 | 210.282 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 0.68 | -8.13 | 4 | 4 | 0 | 78 | 209.274 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0779281A1; US5965591; US6096771 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
