| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 16 | Yes |
Popular Name: (1S)-1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2-(1H-imidazol-4-yl)ethanamine (1S)-1-(4-ethyl-5-methyl-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) | -2.45 | 4.05 | -40.82 | 4 | 6 | 1 | 87 | 221.288 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.45 | 3.73 | -12.88 | 3 | 6 | 0 | 85 | 220.28 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.45 | 4.6 | -113.73 | 5 | 6 | 2 | 88 | 222.296 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(1H-imidazol-4-yl)ethyl]-4H-1,2,4-triazole](http://zinc12.docking.org/img/rings/604249.gif)