| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2010 | 19 | No |
Popular Name: N-methyl-1-oxido-N-[(1S)-1-(4-pyridyl)ethyl]pyridin-1-ium-4-carboxamide N-methyl-1-oxido-N-[(1S)-1-(4-py…
| 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) | -0.91 | 5.75 | -22.18 | 0 | 5 | 0 | 59 | 257.293 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.91 | 6.21 | -51.73 | 1 | 5 | 1 | 60 | 258.301 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
