| 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 | 3.31 | -57.75 | 8 | 11 | 0 | 195 | 472.498 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | 0.99 | -138.29 | 6 | 11 | -2 | 196 | 470.482 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.02 | 1.97 | -237.25 | 5 | 11 | -3 | 199 | 469.474 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 0.32 | -70.51 | 7 | 11 | 0 | 192 | 472.498 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 0.23 | -89.67 | 6 | 11 | -1 | 194 | 471.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | 0.98 | -123.33 | 6 | 11 | -1 | 194 | 471.49 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.76 | -0.76 | -18.43 | 8 | 11 | 0 | 191 | 472.498 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.02 | 2.42 | -116.96 | 7 | 11 | -1 | 198 | 471.49 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -1.76 | 0.82 | -48.57 | 9 | 11 | 1 | 192 | 473.506 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5326759; US5401863; US5494903; US5529990 | IBM Patent Data |
