| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2011 | 23 | No |
| 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) | 3.35 | 12.26 | -103.17 | 2 | 4 | 2 | 29 | 321.509 | 12 | ↓ |
| Hi High (pH 8-9.5) | 3.35 | 10.18 | -39.42 | 1 | 4 | 1 | 28 | 320.501 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0927167A1; WO1998006703A1 | IBM Patent Data |
