| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 27 | 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) | 0.67 | 9.62 | -94.41 | 2 | 6 | 0 | 82 | 377.391 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | 8.32 | -59.25 | 1 | 6 | -1 | 77 | 376.383 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.67 | 7.61 | -50.91 | 3 | 6 | 1 | 79 | 378.399 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4954507 | IBM Patent Data |
