| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 28 | 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) | 0.25 | 9.64 | -93.77 | 2 | 7 | 0 | 91 | 387.411 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 8.35 | -63.04 | 1 | 7 | -1 | 87 | 386.403 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.25 | 7.64 | -51.86 | 3 | 7 | 1 | 88 | 388.419 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.49 | 7.74 | -79.63 | 3 | 7 | 1 | 94 | 388.419 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5480879 | IBM Patent Data |
