| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | No |
Popular Name: 1,1-dioxo-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]thian-4-amine 1,1-dioxo-N-[(1R,2S)-2-(trifluor…
| 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) | 2.58 | 4.36 | -53.18 | 2 | 3 | 1 | 51 | 300.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 3.96 | -12.87 | 1 | 3 | 0 | 46 | 299.358 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
