| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 13 | 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) | -0.86 | 0.17 | -36.83 | 3 | 4 | 1 | 49 | 184.263 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.86 | -1.06 | -9.44 | 2 | 4 | 0 | 44 | 183.255 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.86 | 1.45 | -95.96 | 4 | 4 | 2 | 54 | 185.271 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4895847 | IBM Patent Data |
