In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 16 | Yes |
Popular Name: 1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-ethoxy-ethanone 1-[4-(2-aminoethyl)-1,4-diazepan…
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) | -1.01 | 2.14 | -52.8 | 3 | 5 | 1 | 60 | 230.332 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.01 | 3.93 | -126.29 | 4 | 5 | 2 | 62 | 231.34 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.01 | 3.54 | -42.21 | 3 | 5 | 1 | 60 | 230.332 | 5 | ↓ |