| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (1R,2R,4S)-N2,4-dimethyl-N2-(2-pyridylmethyl)cyclohexane-1,2-diamine (1R,2R,4S)-N2,4-dimethyl-N2-(2-p…
| 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) | 0.84 | 5.56 | -119.74 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 3.54 | -42.25 | 3 | 3 | 1 | 44 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.84 | 5.2 | -29.4 | 3 | 3 | 1 | 43 | 234.367 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 3.58 | -93.1 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
