| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 16 | Yes |
Popular Name: (1S,2S)-N1-(2-dimethylaminoethyl)-N1-propyl-cyclohexane-1,2-diamine (1S,2S)-N1-(2-dimethylaminoethyl…
| 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) | 1.51 | 3.62 | -29.82 | 3 | 3 | 1 | 34 | 228.404 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.51 | 2.07 | -39.95 | 3 | 3 | 1 | 34 | 228.404 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 6.1 | -103.26 | 4 | 3 | 2 | 35 | 229.412 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.51 | 6.38 | -214.59 | 5 | 3 | 3 | 37 | 230.42 | 6 | ↓ |
