| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 28 | Yes |
None
| 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) | 1.59 | 7.31 | -14.44 | 2 | 9 | 0 | 116 | 378.392 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.57 | -58.1 | 1 | 9 | -1 | 119 | 377.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-(3-keto-1,4-benzoxazin-4-yl)-N-[3-(2-pyridyl)-1,4-dihydro-1,2,4-triazol-5-ylidene]propionamide](http://zinc12.docking.org/img/rings/73303.gif)