| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2010 | 14 | 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) | 0.78 | 3.36 | -8.75 | 4 | 5 | 0 | 91 | 187.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 3.54 | -26.56 | 5 | 5 | 1 | 92 | 188.214 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3980774; US4027039; US4032659 | IBM Patent Data |
