| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 34 | 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) | -1.02 | 2.03 | -53.32 | 8 | 11 | 0 | 195 | 472.498 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | 0.96 | -138.97 | 6 | 11 | -2 | 196 | 470.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | 1.95 | -239.55 | 5 | 11 | -3 | 199 | 469.474 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 1.58 | -72.18 | 7 | 11 | 0 | 192 | 472.498 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 1.79 | -98.15 | 6 | 11 | -1 | 194 | 471.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 2.27 | -129.15 | 6 | 11 | -1 | 194 | 471.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | 2.49 | -120.6 | 7 | 11 | -1 | 198 | 471.49 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5326759; US5401863; US5494903; US5529990 | IBM Patent Data |
