| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 19 | No |
Popular Name: N-[2-(dimethylamino)-3-pyridyl]-1-oxido-pyridin-1-ium-2-carboxamide N-[2-(dimethylamino)-3-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) | -0.60 | 5.18 | -19.82 | 1 | 6 | 0 | 71 | 258.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.53 | 6.53 | -57.91 | 1 | 6 | 0 | 78 | 258.281 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.53 | 6.18 | -73.72 | 0 | 6 | -1 | 77 | 257.273 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.60 | 6.96 | -54.96 | 2 | 6 | 1 | 72 | 259.289 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
