| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2009 | 18 | Yes |
Popular Name: (1R,2R,4S)-N2,4-dimethyl-N2-[2-(2-pyridyl)ethyl]cyclohexane-1,2-diamine (1R,2R,4S)-N2,4-dimethyl-N2-[2-(…
| 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) | 1.25 | 6.07 | -121.96 | 4 | 3 | 2 | 45 | 249.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 4.09 | -41.56 | 3 | 3 | 1 | 44 | 248.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.25 | 5.7 | -31.53 | 3 | 3 | 1 | 43 | 248.394 | 4 | ↓ |
