In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 14 | Yes |
Popular Name: 1-[4-[2-(methylamino)ethyl]-1,4-diazepan-1-yl]ethanone 1-[4-[2-(methylamino)ethyl]-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) | -0.35 | 2.88 | -45.02 | 2 | 4 | 1 | 40 | 200.306 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.35 | 3.24 | -39.1 | 2 | 4 | 1 | 37 | 200.306 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.35 | 4.68 | -117.76 | 3 | 4 | 2 | 41 | 201.314 | 3 | ↓ |