| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2010 | 11 | 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) | 0.89 | 1.69 | -26.35 | 3 | 3 | 1 | 50 | 155.221 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 1.15 | -9.39 | 2 | 3 | 0 | 49 | 154.213 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.89 | 1.29 | -7.51 | 2 | 3 | 0 | 49 | 154.213 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4107307; US4107308; US4124766; US4168964; USRE30511 | IBM Patent Data |
