| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 26 | Yes |
1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane hydriodide
1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecanemonohydriodide
| 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) | -3.56 | -4.58 | -93.34 | 9 | 10 | 2 | 153 | 373.502 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.56 | -6.4 | -44.76 | 8 | 10 | 1 | 152 | 372.494 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.56 | -6.2 | -49.82 | 8 | 10 | 1 | 152 | 372.494 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.56 | -3.3 | -194.56 | 10 | 10 | 3 | 158 | 374.51 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.56 | -3.26 | -194.84 | 10 | 10 | 3 | 158 | 374.51 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 221-223? | Alfa-Aesar |
| Melting_Point | 221-223° | Alfa-Aesar |
