| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2011 | 46 | No |
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) | -5.67 | 8.78 | -152.71 | 3 | 16 | -2 | 249 | 668.666 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0384410A1; EP0384410B1; EP0453952A2; EP0453952A3; EP0507921A1; EP0680322A1; EP0680322B1; EP0786999A1; EP0792371A1; EP0831845A1; EP0831869A1; EP0852494A2; EP0979229A1; EP1005356A1; EP1012139A1; EP1021204A2; EP1034784A2; EP1054891A1; EP1054998A1; US506680 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.