| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2S,4S)-N1,N2-diethyl-4-methyl-N2-(4-pyridylmethyl)cyclohexane-1,2-diamine (1S,2S,4S)-N1,N2-diethyl-4-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) | 2.38 | 8.7 | -121.48 | 3 | 3 | 2 | 34 | 277.456 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.38 | 7.03 | -40.14 | 2 | 3 | 1 | 33 | 276.448 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 7.63 | -34.38 | 2 | 3 | 1 | 29 | 276.448 | 6 | ↓ |
