In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 16 | Yes |
Popular Name: N,N-diethyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine N,N-diethyl-N'-methyl-N'-(4-meth…
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) | 2.80 | 9.55 | -105.56 | 2 | 2 | 2 | 9 | 228.424 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.80 | 5.15 | -0.5 | 0 | 2 | 0 | 6 | 226.408 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.80 | 7.01 | -31.49 | 1 | 2 | 1 | 8 | 227.416 | 6 | ↓ |