| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 9 | No |
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) | 0.44 | 3.31 | -9.74 | 1 | 3 | 0 | 46 | 124.143 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 3.29 | -11.86 | 1 | 3 | 0 | 46 | 124.143 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 3.77 | -39.47 | 2 | 3 | 1 | 47 | 125.151 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | 3.8 | -39.29 | 2 | 3 | 1 | 47 | 125.151 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5686486 | IBM Patent Data |
