| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2010 | 21 | Yes |
Popular Name: 2-[4-(2-isopropoxyethyl)-1,4-diazepan-1-yl]benzonitrile 2-[4-(2-isopropoxyethyl)-1,4-dia…
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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) | 2.63 | 10.4 | -39.34 | 1 | 4 | 1 | 41 | 288.415 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.63 | 8.46 | -7.02 | 0 | 4 | 0 | 40 | 287.407 | 5 | ↓ |
