| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 13 | 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) | 2.04 | 4.83 | -40.42 | 2 | 2 | 1 | 29 | 193.295 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 3.41 | -6.97 | 1 | 2 | 0 | 25 | 192.287 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0226842A2; US4686220; US4771061; US4829089 | IBM Patent Data |
