| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2015 | 15 | Yes |
Popular Name: N-(1,1-Dioxo-1H-benzo[d]isothiazol-3-yl)-ethane-1,2-diamine N-(1,1-Dioxo-1H-benzo[d]isothiaz…
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CAS Number: 340018-25-9
| 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) | -0.57 | -3.78 | -52.22 | 3 | 5 | 0 | 88 | 225.273 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | -3.42 | -62.35 | 4 | 5 | 1 | 86 | 226.281 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | -4.18 | -47.66 | 2 | 5 | -1 | 87 | 224.265 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.57 | -3.84 | -13.28 | 3 | 5 | 0 | 85 | 225.273 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.