| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2015 | 15 | Yes |
Popular Name: 2-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]ethanol 2-[(1,1-dioxido-1,2-benzisothiaz…
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CAS Number: 7677-49-8
| 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) | 0.37 | -0.99 | -45.99 | 2 | 5 | 0 | 82 | 226.257 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.25 | -2 | -58.92 | 2 | 5 | -1 | 88 | 225.249 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.37 | -2.11 | -18.04 | 2 | 5 | 0 | 75 | 226.257 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.