| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 18 | 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) | 2.17 | 4.92 | -7.94 | 1 | 4 | 0 | 59 | 241.225 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.63 | 3.08 | -41.61 | 0 | 4 | -1 | 62 | 240.217 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.17 | 5.37 | -45.79 | 2 | 4 | 1 | 60 | 242.233 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0579496A1; US5436233 | IBM Patent Data |
