| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 18 | Yes |
Popular Name: (1R,2S)-N1-ethyl-N2-methyl-N2-(3-pyridylmethyl)cyclohexane-1,2-diamine (1R,2S)-N1-ethyl-N2-methyl-N2-(3…
| 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) | 2.05 | 7.1 | -38.67 | 2 | 3 | 1 | 29 | 248.394 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.2 | -2.69 | 1 | 3 | 0 | 28 | 247.386 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.92 | -33.95 | 2 | 3 | 1 | 33 | 248.394 | 5 | ↓ |
