| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2010 | 21 | Yes |
None
| 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) | 3.52 | 10.16 | -35.2 | 2 | 2 | 1 | 16 | 279.407 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 7.59 | -2.75 | 1 | 2 | 0 | 15 | 278.399 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.52 | 8.82 | -37.97 | 2 | 2 | 1 | 20 | 279.407 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5556861 | IBM Patent Data |
