| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 30 | No |
Popular Name: 3-[4,8,11-tri(2-cyanoethyl)-1,4,8,11-tetraazacyclotetradecanyl]propanenitrile 3-[4,8,11-tri(2-cyanoethyl)-1,4,…
| 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) | -1.33 | 8.32 | -150.89 | 2 | 8 | 2 | 111 | 414.602 | 8 | ↓ |
| Hi High (pH 8-9.5) | -1.33 | 4.33 | -19.63 | 0 | 8 | 0 | 108 | 412.586 | 8 | ↓ |
| Mid Mid (pH 6-8) | -1.33 | 6.37 | -70.93 | 1 | 8 | 1 | 109 | 413.594 | 8 | ↓ |
