| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 18 | Yes |
Popular Name: 5-[[(2S)-1,4-dioxane-2-carbonyl]amino]-3-methyl-thiophene-2-carboxylic 5-[[(2S)-1,4-dioxane-2-carbonyl]…
| 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) | 0.72 | 3.85 | -58.78 | 1 | 6 | -1 | 88 | 270.286 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.90 | 1.18 | -109.23 | 0 | 6 | -2 | 94 | 269.278 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
