| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2010 | 32 | 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) | 4.91 | 14.8 | -86.68 | 2 | 5 | 2 | 44 | 438.612 | 12 | ↓ |
| Hi High (pH 8-9.5) | 4.91 | 12.34 | -43.9 | 1 | 5 | 1 | 43 | 437.604 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6025382; WO1997025033A1 | IBM Patent Data |
