| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 32 | No |
Popular Name: 3-[4,7,10-tris(3-amino-3-oxo-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide 3-[4,7,10-tris(3-amino-3-oxo-pro…
| 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) | -3.70 | -8.91 | -47.8 | 9 | 12 | 1 | 187 | 457.6 | 12 | ↓ |
| Mid Mid (pH 6-8) | -3.70 | -10.97 | -16.77 | 8 | 12 | 0 | 185 | 456.592 | 12 | ↓ |
| Mid Mid (pH 6-8) | -3.70 | -7.09 | -116.92 | 10 | 12 | 2 | 188 | 458.608 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -3.70 | -8.01 | -130.13 | 10 | 12 | 2 | 188 | 458.608 | 12 | ↓ |
| Lo Low (pH 4.5-6) | -3.70 | -5.78 | -244.26 | 11 | 12 | 3 | 189 | 459.616 | 12 | ↓ |
