| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 24 | No |
Popular Name: N,N-diethyl-2-[4-(1-oxidopyridin-1-ium-2-carbonyl)-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-(1-oxidopyridin…
| 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) | -0.94 | 8.01 | -70.44 | 1 | 7 | 1 | 71 | 335.428 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.94 | 6.26 | -32.67 | 0 | 7 | 0 | 69 | 334.42 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
