| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 10 | 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) | 0.43 | 1.49 | -34.76 | 2 | 3 | 1 | 35 | 146.21 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 0.02 | -4.03 | 1 | 3 | 0 | 30 | 145.202 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000012509A2 | IBM Patent Data |
