| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 16 | 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) | -0.38 | 2.86 | -46.14 | 2 | 4 | 1 | 40 | 228.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 3.82 | -39.44 | 2 | 4 | 1 | 37 | 228.36 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.38 | 5.14 | -107.98 | 3 | 4 | 2 | 41 | 229.368 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5618814 | IBM Patent Data |
