| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 18 | 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) | 3.47 | 10.46 | -35.75 | 1 | 2 | 1 | 8 | 241.358 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 8.25 | -3.1 | 0 | 2 | 0 | 6 | 240.35 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1057820A1 | IBM Patent Data |
