| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 22 | No |
Popular Name: N-[(2S)-2-(diethylamino)-2-(3-thienyl)ethyl]-1-oxido-pyridin-1-ium-2-carboxamide N-[(2S)-2-(diethylamino)-2-(3-th…
| 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) | 0.50 | 9.68 | -66.19 | 2 | 5 | 1 | 59 | 320.438 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 5.4 | -16.87 | 1 | 5 | 0 | 58 | 319.43 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-keto-N-[2-(3-thienyl)ethyl]picolinamide](http://zinc12.docking.org/img/rings/30045.gif)