| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 14 | Yes |
Popular Name: (1R,2R,4S)-N2-isobutyl-N2,4-dimethyl-cyclohexane-1,2-diamine (1R,2R,4S)-N2-isobutyl-N2,4-dime…
| 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) | 1.73 | 5.52 | -115.75 | 4 | 2 | 2 | 32 | 200.37 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 3.81 | -39.16 | 3 | 2 | 1 | 31 | 199.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 5.42 | -28.29 | 3 | 2 | 1 | 30 | 199.362 | 3 | ↓ |
