| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 12 | 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) | 1.19 | 4.53 | -101.22 | 4 | 2 | 2 | 32 | 172.316 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.15 | -30.15 | 3 | 2 | 1 | 30 | 171.308 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 2.47 | -41.51 | 3 | 2 | 1 | 31 | 171.308 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4579889 | IBM Patent Data |
