| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2011 | 16 | No |
Popular Name: 3-(4-methanesulfonyloxophenyl)-propanoicacid 3-(4-methanesulfonyloxophenyl)-p…
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CAS Number: 539814-13-6
| 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) | -0.82 | 3.14 | -57.77 | 0 | 5 | -1 | 91 | 243.26 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | -0.59 | -15.46 | 2 | 5 | 0 | 92 | 244.268 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.