| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 14 | No |
Popular Name: 4-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-1,2,4-triazole-3-thiol 4-[(1R)-2-imidazol-1-yl-1-methyl…
| 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) | 0.22 | 7.99 | -46.82 | 0 | 5 | -1 | 49 | 208.27 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | 8.51 | -44.71 | 2 | 5 | 1 | 53 | 210.286 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.22 | 8.51 | -55.75 | 1 | 5 | 0 | 50 | 209.278 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.51 | 8 | -22.4 | 1 | 5 | 0 | 51 | 209.278 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
