| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 16 | 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) | 1.85 | 1.31 | -38.36 | 4 | 3 | 1 | 57 | 222.308 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.85 | 0.29 | -6.76 | 3 | 3 | 0 | 52 | 221.3 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4076843; US4267373 | IBM Patent Data |
