| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 17 | Yes |
Popular Name: 6-[[(1S)-2-imidazol-1-yl-1-methyl-ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S)-2-imidazol-1-yl-1-methy…
| 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) | -1.22 | 2.01 | -40.84 | 4 | 8 | 1 | 110 | 237.243 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.76 | -0.18 | -42.89 | 2 | 8 | -1 | 112 | 235.227 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | 0.34 | -50.94 | 3 | 8 | 0 | 113 | 236.235 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.22 | 1.5 | -12.82 | 3 | 8 | 0 | 108 | 236.235 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
