| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 18 | Yes |
Popular Name: YA-4722 YA-4722
| 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) | 5.30 | 7.88 | -6.1 | 1 | 1 | 0 | 20 | 254.716 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 8.64 | -45.04 | 0 | 1 | -1 | 23 | 253.708 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0826670A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
