| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2011 | 17 | Yes |
Popular Name: 3,4-dimethyl-6-oxo-N-(4H-1,2,4-triazol-3-yl)-1H-pyridazine-5-carboxamide 3,4-dimethyl-6-oxo-N-(4H-1,2,4-t…
| 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) | -0.28 | 0.82 | -47.73 | 2 | 8 | -1 | 120 | 233.211 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.74 | 3.01 | -51.31 | 2 | 8 | -1 | 115 | 233.211 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | -0.84 | -121.39 | 1 | 8 | -2 | 126 | 232.203 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 0.66 | -111.63 | 1 | 8 | -2 | 118 | 232.203 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | 3.19 | -10.07 | 3 | 8 | 0 | 116 | 234.219 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
