| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2012 | 29 | 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) | 3.39 | 6.1 | -99.06 | 5 | 5 | 2 | 71 | 400.563 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.39 | 4.29 | -42.52 | 4 | 5 | 1 | 70 | 399.555 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0663401A1 | IBM Patent Data |
