| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 14 | 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) | 1.32 | 2.98 | -7.28 | 3 | 4 | 0 | 68 | 188.234 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 3.01 | -8.06 | 3 | 4 | 0 | 68 | 188.234 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.32 | 3.49 | -84.52 | 5 | 4 | 2 | 70 | 190.25 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0945438A1; US6057335 | IBM Patent Data |
