| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 14 | 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) | 0.20 | 0.43 | -38.75 | 4 | 3 | 1 | 57 | 196.27 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | -0.98 | -6.04 | 3 | 3 | 0 | 52 | 195.262 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5225402; US5436254; US5652247; WO1994001113A1 | IBM Patent Data |
