| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | 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) | 2.25 | 6.19 | -6.54 | 1 | 2 | 0 | 29 | 178.622 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 6.7 | -37.72 | 2 | 2 | 1 | 30 | 179.63 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0255217A1; EP0459505A1; EP0459505B1; US5037980 | IBM Patent Data |
