| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 11 | Yes |
Popular Name: SS-1044 SS-1044
Find On: PubMed — Wikipedia — Google
CAS Numbers: 687-64-9 , 7431-89-2 , [14000-28-3] , [7431-89-2]
| 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) | -2.27 | 1.74 | -83.22 | 5 | 4 | 1 | 84 | 161.225 | 6 | ↓ |
| Hi High (pH 8-9.5) | -2.27 | 0.5 | -76.03 | 4 | 4 | 0 | 80 | 160.217 | 6 | ↓ |
