| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 26 | Yes |
Popular Name: 3-[8-(2,4-dichlorophenyl)-2-hydroxy-octyl]-3-hydroxy-butanedioic 3-[8-(2,4-dichlorophenyl)-2-hydr…
| 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) | 3.52 | 10.1 | -130.58 | 2 | 6 | -2 | 121 | 405.274 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 8.11 | -56.2 | 3 | 6 | -1 | 118 | 406.282 | 12 | ↓ |
| Lo Low (pH 4.5-6) | 3.52 | 8.12 | -59.83 | 3 | 6 | -1 | 118 | 406.282 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0639187A1; US5447954; WO1993022304A1 | IBM Patent Data |
