| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 24 | Yes |
Popular Name: 2-[4-(3-chloro-5-cyano-2-pyridyl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-(3-chloro-5-cyano-2-pyridyl…
| 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) | 1.77 | 10.38 | -40.03 | 1 | 6 | 1 | 65 | 350.874 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 8.63 | -9.39 | 0 | 6 | 0 | 63 | 349.866 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
