| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 13th, 2009 | 12 | 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) | 1.53 | 4.65 | -101.06 | 4 | 2 | 2 | 32 | 174.332 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.53 | 4.27 | -30.41 | 3 | 2 | 1 | 30 | 173.324 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 2.71 | -40.76 | 3 | 2 | 1 | 31 | 173.324 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0870765A1; US5981557 | IBM Patent Data |
