| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 25th, 2010 | 31 | 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) | 2.29 | 1.6 | -49.91 | 7 | 6 | 1 | 110 | 423.533 | 11 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 0.18 | -10.55 | 6 | 6 | 0 | 105 | 422.525 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1019075A1 | IBM Patent Data |
