| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 30th, 2010 | 15 | Yes |
None
| 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) | 2.22 | 5.9 | -22.08 | 1 | 3 | 0 | 57 | 198.225 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.67 | 4.7 | -47.22 | 0 | 3 | -1 | 60 | 197.217 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0412848A2; EP0412848B1; US5444071 | IBM Patent Data |
