| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2008 | 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) | 0.05 | -0.06 | -35.43 | 3 | 3 | 1 | 40 | 173.28 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.05 | 0.73 | -32.32 | 3 | 3 | 1 | 37 | 173.28 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.05 | 2.14 | -106.28 | 4 | 3 | 2 | 41 | 174.288 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1996015118A1 | IBM Patent Data |
