| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2010 | 29 | Yes |
None
| 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) | 2.61 | 6.44 | -12.36 | 3 | 7 | 0 | 107 | 391.427 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.61 | 6.84 | -37.31 | 4 | 7 | 1 | 109 | 392.435 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5496830; US5614529; US6093721; WO1996009049A1; WO1999005103A2 | IBM Patent Data |
