| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 27 | 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) | 2.55 | 10.86 | -106.85 | 2 | 6 | 0 | 82 | 373.428 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 9.59 | -64.66 | 1 | 6 | -1 | 77 | 372.42 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 8.86 | -60.38 | 3 | 6 | 1 | 79 | 374.436 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0287951A2; EP0287951B1; EP0326891A2; EP0398967A1; EP0565132A3; EP0823413A3; US4920120; US5495020; US5585491; US5591744 | IBM Patent Data |
