| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 26th, 2010 | 32 | No |
| 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) | 1.39 | 10.81 | -68.89 | 0 | 7 | -1 | 86 | 456.416 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 8.79 | -17.91 | 1 | 7 | 0 | 83 | 457.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -1.35 | 9.02 | -39.37 | 1 | 7 | 0 | 89 | 457.424 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5393758 | IBM Patent Data |
