| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 18 | Yes |
Popular Name: N-[[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine N-[[1-[2-(3,5-dimethylpyrazol-1-…
| 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) | 0.54 | 4.65 | -43.95 | 2 | 6 | 1 | 65 | 249.342 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.54 | 3.27 | -8.92 | 1 | 6 | 0 | 61 | 248.334 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 4.79 | -84.87 | 3 | 6 | 2 | 66 | 250.35 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
