| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 22 | 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) | 3.15 | 12.08 | -137.83 | 0 | 4 | -2 | 80 | 296.322 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 10.09 | -54.43 | 1 | 4 | -1 | 77 | 297.33 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000063261A1 | IBM Patent Data |
