| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 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) | -1.20 | 1.68 | -134.34 | 6 | 2 | 2 | 55 | 164.252 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.20 | 1.35 | -45.08 | 5 | 2 | 1 | 54 | 163.244 | 0 | ↓ |
| Hi High (pH 8-9.5) | -1.20 | 1.37 | -41.2 | 5 | 2 | 1 | 54 | 163.244 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5053430 | IBM Patent Data |
