| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2010 | 8 | 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) | 0.10 | -0.19 | -33.42 | 3 | 2 | 1 | 29 | 113.184 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | -1.44 | -1.22 | 2 | 2 | 0 | 24 | 112.176 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 0.24 | -36.06 | 3 | 2 | 1 | 29 | 113.184 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5556861 | IBM Patent Data |
