| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 32 | Yes |
Popular Name: 1-[[4-(1,5,9-triazacyclododec-1-ylmethyl)phenyl]methyl]-1,5,9-triazacyclododecane 1-[[4-(1,5,9-triazacyclododec-1-…
| 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) | 0.63 | 6.88 | -265.63 | 8 | 6 | 4 | 73 | 448.744 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.63 | 4.77 | -80.78 | 6 | 6 | 2 | 64 | 446.728 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.63 | 5.82 | -163.85 | 7 | 6 | 3 | 68 | 447.736 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 8.76 | -383.04 | 9 | 6 | 5 | 74 | 449.752 | 4 | ↓ |
