| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2010 | 18 | 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) | 2.08 | 5.73 | -30.12 | 4 | 4 | 1 | 61 | 242.302 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 5.71 | -7.17 | 3 | 4 | 0 | 60 | 241.294 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.25 | 5.09 | -7.91 | 3 | 4 | 0 | 60 | 241.294 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4512997; US4659729; US4727084 | IBM Patent Data |
