| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 20 | Yes |
Popular Name: (1S,2R,4S)-4-tert-butyl-N2-methyl-N2-(2-pyridylmethyl)cyclohexane-1,2-diamine (1S,2R,4S)-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) | 2.17 | 5.92 | -48.12 | 3 | 3 | 1 | 44 | 276.448 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 7.67 | -28.86 | 3 | 3 | 1 | 43 | 276.448 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.17 | 6.07 | -104.29 | 4 | 3 | 2 | 45 | 277.456 | 4 | ↓ |
