| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2009 | 10 | 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) | -0.19 | 1.97 | -45.51 | 4 | 3 | 1 | 56 | 160.628 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 1.67 | -9.33 | 3 | 3 | 0 | 55 | 159.62 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.19 | 2.42 | -104.26 | 5 | 3 | 2 | 58 | 161.636 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5162541 | IBM Patent Data |
