| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 14 | Yes |
Popular Name: 3-[(1S)-1-amino-2-(1H-imidazol-4-yl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one 3-[(1S)-1-amino-2-(1H-imidazol-4…
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) | -3.34 | -1.25 | -44.03 | 6 | 7 | 1 | 117 | 195.206 | 3 | ↓ |
| Hi High (pH 8-9.5) | -3.34 | -1.77 | -10.97 | 5 | 7 | 0 | 116 | 194.198 | 3 | ↓ |
| Hi High (pH 8-9.5) | -2.88 | -3.12 | -46.88 | 4 | 7 | -1 | 119 | 193.19 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.88 | -3.17 | -30.04 | 5 | 7 | 0 | 121 | 194.198 | 3 | ↓ |
| Mid Mid (pH 6-8) | -2.88 | -2.85 | -60.97 | 5 | 7 | 0 | 121 | 194.198 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -2.88 | -4.27 | -122.82 | 7 | 7 | 2 | 119 | 196.214 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(1H-imidazol-4-yl)ethyl]-1,4-dihydro-1,2,4-triazol-5-one](http://zinc12.docking.org/img/rings/608242.gif)