| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2006 | 26 | 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) | 4.29 | 9.44 | -68.13 | 4 | 4 | 2 | 52 | 344.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 9.01 | -36.75 | 3 | 4 | 1 | 51 | 343.454 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997048705A1 | IBM Patent Data |
