| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 14th, 2005 | 17 | 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) | 1.01 | 6.26 | -42.53 | 2 | 3 | 1 | 42 | 228.319 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 6.54 | -103.31 | 3 | 3 | 2 | 44 | 229.327 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.01 | 6.82 | -181.82 | 4 | 3 | 3 | 45 | 230.335 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999067281A1; WO2000005251A1 | IBM Patent Data |
