| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 12 | Yes |
Popular Name: LS-45679 LS-45679
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) | 0.19 | 2.4 | -128.4 | 6 | 2 | 2 | 55 | 166.268 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 2.13 | -38 | 5 | 2 | 1 | 54 | 165.26 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.19 | 2.11 | -45.06 | 5 | 2 | 1 | 54 | 165.26 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0171276A2; EP0171276B1; US4605513 | IBM Patent Data |
