| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: 2-[4-(3-fluoro-2-pyridyl)-1,4-diazepan-1-yl]ethanamine 2-[4-(3-fluoro-2-pyridyl)-1,4-di…
| 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) | 0.22 | 3.51 | -45.58 | 3 | 4 | 1 | 47 | 239.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 4.88 | -33.98 | 3 | 4 | 1 | 47 | 239.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 5.27 | -117.45 | 4 | 4 | 2 | 48 | 240.326 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
