In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2009 | 27 | Yes |
Popular Name: N,N-diethyl-2-[4-[2-(o-tolylmethylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]acetamide N,N-diethyl-2-[4-[2-(o-tolylmeth…
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) | 2.01 | 8.68 | -40.59 | 2 | 6 | 1 | 57 | 375.537 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 8.48 | -43.25 | 2 | 6 | 1 | 57 | 375.537 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 6.73 | -13.39 | 1 | 6 | 0 | 56 | 374.529 | 8 | ↓ |