| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 16 | No |
| 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) | -2.74 | 2.79 | -141.28 | 2 | 6 | 2 | 74 | 228.296 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.74 | 2.3 | -39.82 | 1 | 6 | 1 | 70 | 227.288 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1003514A1; EP1052992A1; US6136827; US6140349; WO1996021660A1; WO1999004794A1; WO1999038514A1; WO2000076512A1; WO2000076513A1; WO2000076973A1 | IBM Patent Data |
