| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2012 | 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) | 0.86 | 12.83 | -100.7 | 1 | 6 | 0 | 70 | 387.455 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 10.81 | -55.08 | 2 | 6 | 1 | 67 | 388.463 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.88 | 10.87 | -79.03 | 2 | 6 | 1 | 73 | 388.463 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5258528; US5461165; US5563155; US5633264 | IBM Patent Data |
