| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2009 | 20 | 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) | 1.12 | 4.72 | -16.12 | 2 | 5 | 0 | 71 | 274.32 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 4.56 | -55.79 | 1 | 5 | -1 | 74 | 273.312 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000068202A1 | IBM Patent Data |
