In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2011 | 24 | No |
Popular Name: 5-[1-[(1R)-2-(3,5-dimethylpyrazol-1-yl)-1-methyl-ethyl]imidazol-2-yl]-2,1,3-benzothiadiazole 5-[1-[(1R)-2-(3,5-dimethylpyrazo…
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) | 3.06 | 8.04 | -9.94 | 0 | 6 | 0 | 61 | 338.44 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 8.47 | -39.29 | 1 | 6 | 1 | 63 | 339.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.