| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 28 | 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) | 4.25 | 8.41 | -45.22 | 0 | 5 | -1 | 65 | 448.312 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 8.56 | -15.57 | 0 | 5 | 0 | 59 | 449.32 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.76 | 8.79 | -17.54 | 0 | 5 | 0 | 59 | 449.32 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 8.2 | -18.13 | 0 | 5 | 0 | 59 | 449.32 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000024741A2 | IBM Patent Data |
