In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2010 | 20 | Yes |
Popular Name: 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethyl-acetamide 2-[4-(cyclopropanecarbonyl)-1,4-…
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) | 0.80 | 8.44 | -42.58 | 1 | 5 | 1 | 45 | 282.408 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 6.69 | -13.97 | 0 | 5 | 0 | 44 | 281.4 | 5 | ↓ |