| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 23rd, 2009 | 28 | 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) | 1.00 | 9.22 | -108.54 | 2 | 6 | 0 | 82 | 387.455 | 6 | ↓ |
| Mid Mid (pH 6-8) | -1.75 | 8.26 | -76.53 | 3 | 6 | 1 | 85 | 388.463 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5258528; US5461165; US5563155; US5633264 | IBM Patent Data |
