| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 13 | Yes |
Popular Name: (1R)-2-(1H-imidazol-4-yl)-1-(1H-1,2,4-triazol-3-yl)ethanamine (1R)-2-(1H-imidazol-4-yl)-1-(1H-…
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) | -2.98 | 2.09 | -33.15 | 5 | 6 | 1 | 98 | 179.207 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.98 | 1.3 | -41.88 | 3 | 6 | -1 | 95 | 177.191 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.98 | 1.7 | -8.88 | 4 | 6 | 0 | 96 | 178.199 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.98 | 0.94 | -37.11 | 3 | 6 | -1 | 95 | 177.191 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.98 | 1.3 | -37.71 | 4 | 6 | 0 | 96 | 178.199 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.98 | 1.93 | -30.14 | 4 | 6 | 0 | 96 | 178.199 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.98 | 1.91 | -112.98 | 6 | 6 | 2 | 99 | 180.215 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.98 | 1.97 | -102.82 | 6 | 6 | 2 | 99 | 180.215 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,4-triazole](http://zinc12.docking.org/img/rings/21445.gif)