| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 17 | Yes |
Popular Name: (1S,2R,4R)-N2-ethyl-4-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclohexane-1,2-diamine (1S,2R,4R)-N2-ethyl-4-methyl-N2-…
| 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) | 1.36 | 6.03 | -111.9 | 4 | 3 | 2 | 41 | 242.407 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.9 | -37.15 | 3 | 3 | 1 | 40 | 241.399 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 5.77 | -28.76 | 3 | 3 | 1 | 40 | 241.399 | 4 | ↓ |
