| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 10 | 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) | -0.91 | 1.15 | -37.53 | 3 | 4 | 0 | 77 | 145.158 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.91 | -0.2 | -43.54 | 2 | 4 | -1 | 72 | 144.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5053414; US5212191; US5401760; US5411974; US5545657 | IBM Patent Data |
