| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 25 | 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) | 2.47 | 8.15 | -60.64 | 2 | 4 | 1 | 51 | 340.443 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 6.04 | -11.51 | 1 | 4 | 0 | 50 | 339.435 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4272541 | IBM Patent Data |
