| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 15 | Yes |
Popular Name: (1S,2S,4R)-N2-butyl-N2-ethyl-4-methyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-butyl-N2-ethyl-4-m…
| 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) | 2.43 | 6.29 | -115.81 | 4 | 2 | 2 | 32 | 214.397 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 4.46 | -40.76 | 3 | 2 | 1 | 31 | 213.389 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.43 | 5.98 | -29.6 | 3 | 2 | 1 | 30 | 213.389 | 5 | ↓ |
