| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2005 | 15 | 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) | 2.05 | 0.23 | -34.12 | 1 | 2 | 1 | 17 | 203.309 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 0.34 | -94.4 | 2 | 2 | 2 | 18 | 204.317 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0994875A1; WO1999000385A1 | IBM Patent Data |
