| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 21 | Yes |
Popular Name: (1S,2R,4R)-4-tert-butyl-N2-methyl-N2-[2-(2-pyridyl)ethyl]cyclohexane-1,2-diamine (1S,2R,4R)-4-tert-butyl-N2-methy…
| 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) | 2.57 | 8.17 | -121.1 | 4 | 3 | 2 | 45 | 291.483 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 6.07 | -38.65 | 3 | 3 | 1 | 44 | 290.475 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.57 | 7.91 | -35.32 | 3 | 3 | 1 | 43 | 290.475 | 5 | ↓ |
