| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2010 | 21 | 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) | -2.93 | -9.29 | -20.45 | 6 | 10 | 0 | 168 | 301.255 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.47 | -11.99 | -66.57 | 5 | 10 | -1 | 171 | 300.247 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0824345A1; WO1996033703A2; WO2000067698A2 | IBM Patent Data |
