| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S,4S)-N2-ethyl-4-methyl-N1-propyl-N2-(4-pyridylmethyl)cyclohexane-1,2-diamine (1R,2S,4S)-N2-ethyl-4-methyl-N1-…
| 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) | 2.89 | 9.99 | -120.94 | 3 | 3 | 2 | 34 | 291.483 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.89 | 7.48 | -36.2 | 2 | 3 | 1 | 33 | 290.475 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 8.91 | -39.05 | 2 | 3 | 1 | 29 | 290.475 | 7 | ↓ |
