| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-N1-ethyl-N2-methyl-N2-(4-pyridylmethyl)cyclohexane-1,2-diamine (1S,2R)-N1-ethyl-N2-methyl-N2-(4…
| 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) | 2.00 | 7.94 | -117.05 | 3 | 3 | 2 | 34 | 249.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 4.46 | -3.13 | 1 | 3 | 0 | 28 | 247.386 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | 6.91 | -36.68 | 2 | 3 | 1 | 29 | 248.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 5.96 | -35.08 | 2 | 3 | 1 | 33 | 248.394 | 5 | ↓ |
