| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 13 | No |
| 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) | 1.67 | 2.9 | -26.63 | 4 | 3 | 1 | 51 | 187.307 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 1.2 | -34.85 | 4 | 3 | 1 | 51 | 187.307 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 1.36 | -2.8 | 3 | 3 | 0 | 49 | 186.299 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5006540 | IBM Patent Data |
