| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 5th, 2006 | 22 | No |
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) | 1.68 | -2.94 | -23.72 | 5 | 7 | 0 | 131 | 302.238 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | -2.24 | -78.47 | 4 | 7 | -1 | 134 | 301.23 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | -2.15 | -56.2 | 4 | 7 | -1 | 134 | 301.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000065073A2 | IBM Patent Data |
