In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 20 | Yes |
Popular Name: 2-[4-(2-cyclohexylacetyl)-1,4-diazepan-1-yl]acetamide 2-[4-(2-cyclohexylacetyl)-1,4-di…
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) | 1.30 | 5.64 | -40.27 | 3 | 5 | 1 | 68 | 282.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 4.01 | -11.04 | 2 | 5 | 0 | 67 | 281.4 | 4 | ↓ |