| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 14 | 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) | 2.22 | 5.21 | -7.37 | 2 | 3 | 0 | 42 | 185.23 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 6.24 | -30.05 | 3 | 3 | 1 | 43 | 186.238 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0542203A2; EP0542203B1 | IBM Patent Data |
