| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 14 | No |
Popular Name: 4-(6-fluoropyridin-2-yl)-1,4-thiazepane 4-(6-fluoropyridin-2-yl)-1,4-thi…
Find On: PubMed — Wikipedia — Google
CAS Number: 1248966-51-9
| 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) | 2.30 | 6.76 | -6.06 | 0 | 2 | 0 | 16 | 212.293 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.30 | 7.07 | -28.67 | 1 | 2 | 1 | 17 | 213.301 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
