| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 20 | No |
| 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) | 3.65 | 9.27 | -13.01 | 1 | 5 | 0 | 75 | 265.272 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 9.29 | -16.7 | 1 | 5 | 0 | 75 | 265.272 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 9.7 | -40.23 | 2 | 5 | 1 | 76 | 266.28 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 9.72 | -40 | 2 | 5 | 1 | 76 | 266.28 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0996443A1; US5498301; US5560785; US6121260; WO1999001128A1 | IBM Patent Data |
