| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: (1S,2S,4R)-N2-(2-dimethylaminoethyl)-4-ethyl-N2-propyl-cyclohexane-1,2-diamine (1S,2S,4R)-N2-(2-dimethylaminoet…
| 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) | 2.21 | 4.61 | -30.44 | 3 | 3 | 1 | 34 | 256.458 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.21 | 3.05 | -42.11 | 3 | 3 | 1 | 34 | 256.458 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 7.07 | -105.99 | 4 | 3 | 2 | 35 | 257.466 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 7.38 | -220.05 | 5 | 3 | 3 | 37 | 258.474 | 7 | ↓ |
