| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 21 | No |
Popular Name: N-[6-(diethylamino)-3-pyridyl]-2-thioxo-1H-pyridine-3-carboxamide N-[6-(diethylamino)-3-pyridyl]-2…
| 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) | 2.40 | 6.94 | -60.35 | 1 | 5 | -1 | 58 | 301.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.67 | 7.26 | -39.49 | 2 | 5 | 0 | 61 | 302.403 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 7.64 | -49.82 | 3 | 5 | 1 | 62 | 303.411 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 6.8 | -65.09 | 3 | 5 | 0 | 62 | 303.411 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
