| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 31 | Yes |
None
| 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) | -0.94 | 8.52 | -107.29 | 4 | 8 | 0 | 122 | 430.48 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.94 | 8.18 | -73.74 | 3 | 8 | -1 | 120 | 429.472 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.94 | 6.51 | -61.34 | 5 | 8 | 1 | 119 | 431.488 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.68 | 6.53 | -80.48 | 5 | 8 | 1 | 125 | 431.488 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4851418 | IBM Patent Data |
