| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 18 | No |
Popular Name: 1-[2-(aminomethyl)-3-fluoro-phenyl]azepane-2,7-dione 1-[2-(aminomethyl)-3-fluoro-phen…
| 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) | 0.01 | 4.72 | -40.48 | 3 | 4 | 1 | 65 | 251.281 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.01 | 4.18 | -11.5 | 2 | 4 | 0 | 63 | 250.273 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
