| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 3rd, 2011 | 18 | 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) | 3.70 | 10.23 | -41.99 | 1 | 2 | 1 | 22 | 246.374 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.70 | 8 | -6.43 | 0 | 2 | 0 | 20 | 245.366 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4950648 | IBM Patent Data |
