| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 17 | Yes |
Popular Name: (1S,2S,4R)-N2-(2-dimethylaminoethyl)-4-methyl-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) | 1.52 | 3.97 | -29.47 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 2.43 | -40.59 | 3 | 3 | 1 | 34 | 242.431 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 6.45 | -106.17 | 4 | 3 | 2 | 35 | 243.439 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 6.74 | -221.47 | 5 | 3 | 3 | 37 | 244.447 | 6 | ↓ |
