In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 19th, 2011 | 22 | No |
Popular Name: 5-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)-6H-1,3,4-thiadiazin-2-amine 5-[4-(difluoromethoxy)phenyl]-N-…
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) | 3.44 | 6.05 | -35.45 | 2 | 4 | 1 | 48 | 340.297 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 6.1 | -34.35 | 2 | 4 | 1 | 48 | 340.297 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 5.17 | -9.4 | 1 | 4 | 0 | 46 | 339.289 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.