| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 16 | 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) | -0.17 | 2.14 | -82.52 | 3 | 4 | 2 | 28 | 228.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.17 | -0.32 | -39.8 | 2 | 4 | 1 | 26 | 227.376 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.17 | 2.01 | -88.49 | 3 | 4 | 2 | 28 | 228.384 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.17 | 4.51 | -172.75 | 4 | 4 | 3 | 29 | 229.392 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6156752 | IBM Patent Data |
