| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2010 | 15 | No |
Popular Name: 4-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]-5-methyl-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) | -0.42 | 7.69 | -14.09 | 1 | 5 | 0 | 51 | 223.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | 8.2 | -38.93 | 2 | 5 | 1 | 53 | 224.313 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 8.13 | -55.05 | 1 | 5 | 0 | 50 | 223.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.31 | 7.61 | -41.57 | 0 | 5 | -1 | 49 | 222.297 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
