| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 19 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N1-propyl-cyclododecane-1,2-diamine (1S,2S)-N1-ethyl-N1-propyl-cyclo…
| 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) | 4.89 | 8.04 | -110.17 | 4 | 2 | 2 | 32 | 270.505 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.89 | 6.46 | -37.42 | 3 | 2 | 1 | 31 | 269.497 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.89 | 7.88 | -28.77 | 3 | 2 | 1 | 30 | 269.497 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
