| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 14 | Yes |
Popular Name: 1-(3-fluoropyridin-2-yl)-1,4-diazepane 1-(3-fluoropyridin-2-yl)-1,4-dia…
Find On: PubMed — Wikipedia — Google
CAS Number: 1339242-88-4
| 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) | 0.82 | 5.11 | -39.11 | 2 | 3 | 1 | 33 | 196.249 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 3.83 | -4.73 | 1 | 3 | 0 | 28 | 195.241 | 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.
