| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 29 | 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) | 1.15 | 11.45 | -92.6 | 2 | 7 | 0 | 95 | 396.422 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 10.2 | -58.72 | 1 | 7 | -1 | 90 | 395.414 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4970213; US4990515; US5004745 | IBM Patent Data |
