| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | No |
Popular Name: 1-[6-(diethylamino)-3-pyridyl]-3-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]urea 1-[6-(diethylamino)-3-pyridyl]-3…
| 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) | 0.96 | 7.83 | -42.52 | 4 | 8 | 1 | 92 | 350.472 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 7.25 | -45.77 | 2 | 8 | -1 | 88 | 348.456 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 7.49 | -16.1 | 3 | 8 | 0 | 91 | 349.464 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 7.59 | -59.27 | 3 | 8 | 0 | 89 | 349.464 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-(3-pyridyl)-3-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea](http://zinc12.docking.org/img/rings/491375.gif)