| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | No |
Popular Name: 2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide 2-(4-methylsulfonyl-1,4-diazepan…
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| 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) | -0.41 | 0.62 | -48.07 | 1 | 8 | 0 | 103 | 319.412 | 4 | ↓ |
| Ref Reference (pH 7) | -0.42 | -2.72 | -16.47 | 1 | 8 | 0 | 99 | 319.412 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | -1.38 | -51.35 | 0 | 8 | -1 | 102 | 318.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | -0.67 | -24.42 | 1 | 8 | 0 | 96 | 319.412 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 1.27 | -58.59 | 2 | 8 | 1 | 97 | 320.42 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.42 | -0.72 | -55.11 | 2 | 8 | 1 | 100 | 320.42 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
