| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2005 | 36 | 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) | 1.73 | 5.01 | -63.35 | 4 | 11 | 1 | 132 | 510.608 | 14 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.66 | -19.69 | 3 | 11 | 0 | 128 | 509.6 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000074651A1 | IBM Patent Data |
