| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 16 | Yes |
Popular Name: [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]methanamine [1-[2-(3,5-dimethylpyrazol-1-yl)…
| 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) | -0.21 | 1.92 | -54.01 | 3 | 6 | 1 | 76 | 221.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.21 | 1.52 | -12.35 | 2 | 6 | 0 | 75 | 220.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -0.21 | 2.06 | -89.91 | 4 | 6 | 2 | 77 | 222.296 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
