| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2015 | 16 | Yes |
Popular Name: N-(1,1-dioxido-1,2-benzisothiazol-3-yl)propane-1,3-diamine N-(1,1-dioxido-1,2-benzisothiazo…
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CAS Number: 345972-22-7
| 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) | -0.30 | -2.92 | -62.67 | 3 | 5 | 0 | 88 | 239.3 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | -2.65 | -62.11 | 4 | 5 | 1 | 86 | 240.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | -2.44 | -59.89 | 4 | 5 | 1 | 86 | 240.308 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.30 | -2.89 | -74.02 | 3 | 5 | 0 | 88 | 239.3 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.