| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2011 | 25 | No |
| 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) | 3.11 | 9.34 | -12.46 | 0 | 4 | 0 | 43 | 379.197 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 10.27 | -32.96 | 1 | 4 | 1 | 45 | 380.205 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4010177; US4021441; US4250094 | IBM Patent Data |
