| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 32 | 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) | 5.29 | 11.38 | -50.89 | 3 | 5 | 1 | 67 | 439.62 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.29 | 9.1 | -15.6 | 2 | 5 | 0 | 66 | 438.612 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4349678; US4442291 | IBM Patent Data |
