| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 32 | 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) | -0.85 | 8.54 | -99.4 | 4 | 8 | 0 | 122 | 448.47 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 8.2 | -64.36 | 3 | 8 | -1 | 120 | 447.462 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.85 | 6.59 | -55.73 | 5 | 8 | 1 | 119 | 449.478 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4851418 | IBM Patent Data |
