| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | Yes |
Popular Name: (1S,2S)-N1-methyl-N1-(2-pyridylmethyl)cyclohexane-1,2-diamine (1S,2S)-N1-methyl-N1-(2-pyridylm…
| 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) | 0.83 | 4.83 | -113.75 | 4 | 3 | 2 | 45 | 221.348 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 2.88 | -37.98 | 3 | 3 | 1 | 44 | 220.34 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 4.52 | -31.65 | 3 | 3 | 1 | 43 | 220.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 3.59 | -89.64 | 4 | 3 | 2 | 45 | 221.348 | 3 | ↓ |
