| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 4th, 2011 | 23 | No |
Popular Name: 1-(4-tert-butyl-1,4-diazepan-1-yl)-2-(2-nitrophenyl)ethanone 1-(4-tert-butyl-1,4-diazepan-1-y…
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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) | 2.73 | 10.29 | -40.16 | 1 | 6 | 1 | 71 | 320.413 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.73 | 8.61 | -14.84 | 0 | 6 | 0 | 69 | 319.405 | 4 | ↓ |
