| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 12 | 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) | 1.19 | 5.7 | -100.26 | 3 | 2 | 2 | 21 | 170.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.53 | -29.48 | 2 | 2 | 1 | 16 | 169.292 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4271053; US4305829 | IBM Patent Data |
