In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 14 | Yes |
Popular Name: 2-(ethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone 2-(ethylamino)-1-(4-methyl-1,4-d…
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) | -0.36 | 5.02 | -91.38 | 3 | 4 | 2 | 41 | 201.314 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.36 | 3.66 | -39.89 | 2 | 4 | 1 | 37 | 200.306 | 3 | ↓ |