In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 19 | No |
Popular Name: 1-(2,5-dimethylphenyl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thiol 5,5-dioxide 1-(2,5-dimethylphenyl)-3a,4,6,6a…
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) | 2.19 | 4.86 | -17.46 | 1 | 4 | 0 | 51 | 296.417 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 4.19 | -45.73 | 0 | 4 | -1 | 50 | 295.409 | 1 | ↓ |